5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide

C60H64BrN21O6S3 — CID 158606093

IUPAC5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide
SMILESCCC(=O)c1nnc(N2CCC(c3ccc(CC(=O)Cc4ccccc4)nn3)C2)s1.CNC(=O)c1nnc(Br)s1.CNC(=O)c1nnc(N2CCC(c3ccc(NC(=O)Cc4ccccn4)nn3)C2)s1.O=C(Cc1ccccn1)Nc1ccc(C2CCNC2)nn1
InChIInChI=1S/C22H23N5O2S.C19H20N8O2S.C15H17N5O.C4H4BrN3OS/c1-2-20(29)21-25-26-22(30-21)27-11-10-16(14-27)19-9-8-17(23-24-19)13-18(28)12-15-6-4-3-5-7-15;1-20-17(29)18-25-26-19(30-18)27-9-7-12(11-27)14-5-6-15(24-23-14)22-16(28)10-13-4-2-3-8-21-13;21-15(9-12-3-1-2-7-17-12)18-14-5-4-13(19-20-14)11-6-8-16-10-11;1-6-2(9)3-7-8-4(5)10-3/h3-9,16H,2,10-14H2,1H3;2-6,8,12H,7,9-11H2,1H3,(H,20,29)(H,22,24,28);1-5,7,11,16H,6,8-10H2,(H,18,20,21);1H3,(H,6,9)
InChIKeyHWFYWQZWLNOCKX-UHFFFAOYSA-N
MW1351.42 g/mol
LogP6.32
Rot. Bonds19

About 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide

5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide (PubChem CID 158606093) has the molecular formula C60H64BrN21O6S3 and a molecular weight of 1351.42 g/mol. Its IUPAC name is 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide
PubChem CID158606093
Molecular FormulaC60H64BrN21O6S3
Molecular Weight1351.42 g/mol
Exact Mass1349.37
IUPAC Name5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide
SMILESCCC(=O)c1nnc(N2CCC(c3ccc(CC(=O)Cc4ccccc4)nn3)C2)s1.CNC(=O)c1nnc(Br)s1.CNC(=O)c1nnc(N2CCC(c3ccc(NC(=O)Cc4ccccn4)nn3)C2)s1.O=C(Cc1ccccn1)Nc1ccc(C2CCNC2)nn1
InChIInChI=1S/C22H23N5O2S.C19H20N8O2S.C15H17N5O.C4H4BrN3OS/c1-2-20(29)21-25-26-22(30-21)27-11-10-16(14-27)19-9-8-17(23-24-19)13-18(28)12-15-6-4-3-5-7-15;1-20-17(29)18-25-26-19(30-18)27-9-7-12(11-27)14-5-6-15(24-23-14)22-16(28)10-13-4-2-3-8-21-13;21-15(9-12-3-1-2-7-17-12)18-14-5-4-13(19-20-14)11-6-8-16-10-11;1-6-2(9)3-7-8-4(5)10-3/h3-9,16H,2,10-14H2,1H3;2-6,8,12H,7,9-11H2,1H3,(H,20,29)(H,22,24,28);1-5,7,11,16H,6,8-10H2,(H,18,20,21);1H3,(H,6,9)
InChIKeyHWFYWQZWLNOCKX-UHFFFAOYSA-N
XLogP6.32
TPSA349.51 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001351.42
LogP ≤ 56.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide?
The IUPAC name of 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide (CID 158606093) is 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide.
What is the SMILES notation for 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide?
The canonical SMILES for 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide is CCC(=O)c1nnc(N2CCC(c3ccc(CC(=O)Cc4ccccc4)nn3)C2)s1.CNC(=O)c1nnc(Br)s1.CNC(=O)c1nnc(N2CCC(c3ccc(NC(=O)Cc4ccccn4)nn3)C2)s1.O=C(Cc1ccccn1)Nc1ccc(C2CCNC2)nn1.
What is the InChIKey of 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide?
The InChIKey is HWFYWQZWLNOCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S.C19H20N8O2S.C15H17N5O.C4H4BrN3OS/c1-2-20(29)21-25-26-22(30-21)27-11-10-16(14-27)19-9-8-17(23-24-19)13-18(28)12-15-6-4-3-5-7-15;1-20-17(29)18-25-26-19(30-18)27-9-7-12(11-27)14-5-6-15(24-23-14)22-16(28)10-13-4-2-3-8-21-13;21-15(9-12-3-1-2-7-17-12)18-14-5-4-13(19-20-14)11-6-8-16-10-11;1-6-2(9)3-7-8-4(5)10-3/h3-9,16H,2,10-14H2,1H3;2-6,8,12H,7,9-11H2,1H3,(H,20,29)(H,22,24,28);1-5,7,11,16H,6,8-10H2,(H,18,20,21);1H3,(H,6,9).
What are the key properties of 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide?
5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide has a molecular weight of 1351.42 g/mol, XLogP of 6.32, 19 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1,3,4-thiadiazole-2-carboxamide;N-methyl-5-[3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide;1-phenyl-3-[6-[1-(5-propanoyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]propan-2-one;2-pyridin-2-yl-N-(6-pyrrolidin-3-ylpyridazin-3-yl)acetamide is sourced from PubChem (CID 158606093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).