N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C39H39N9O2S2 — CID 158945515

IUPACN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1.Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C20H20N4OS.C19H19N5OS/c1-12-19(26-11-21-12)20(25)22-15-6-8-16(9-7-15)24-18(14-4-5-14)10-17(23-24)13-2-3-13;1-11-18(26-23-21-11)19(25)20-14-6-8-15(9-7-14)24-17(13-4-5-13)10-16(22-24)12-2-3-12/h6-11,13-14H,2-5H2,1H3,(H,22,25);6-10,12-13H,2-5H2,1H3,(H,20,25)
InChIKeyJKTSXNHJZJOLIK-UHFFFAOYSA-N
MW729.94 g/mol
LogP8.68
Rot. Bonds10

About N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 158945515) has the molecular formula C39H39N9O2S2 and a molecular weight of 729.94 g/mol. Its IUPAC name is N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID158945515
Molecular FormulaC39H39N9O2S2
Molecular Weight729.94 g/mol
Exact Mass729.27
IUPAC NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1.Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C20H20N4OS.C19H19N5OS/c1-12-19(26-11-21-12)20(25)22-15-6-8-16(9-7-15)24-18(14-4-5-14)10-17(23-24)13-2-3-13;1-11-18(26-23-21-11)19(25)20-14-6-8-15(9-7-14)24-17(13-4-5-13)10-16(22-24)12-2-3-12/h6-11,13-14H,2-5H2,1H3,(H,22,25);6-10,12-13H,2-5H2,1H3,(H,20,25)
InChIKeyJKTSXNHJZJOLIK-UHFFFAOYSA-N
XLogP8.68
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500729.94
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 158945515) is N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1.Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1.
What is the InChIKey of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JKTSXNHJZJOLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS.C19H19N5OS/c1-12-19(26-11-21-12)20(25)22-15-6-8-16(9-7-15)24-18(14-4-5-14)10-17(23-24)13-2-3-13;1-11-18(26-23-21-11)19(25)20-14-6-8-15(9-7-14)24-17(13-4-5-13)10-16(22-24)12-2-3-12/h6-11,13-14H,2-5H2,1H3,(H,22,25);6-10,12-13H,2-5H2,1H3,(H,20,25).
What are the key properties of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 729.94 g/mol, XLogP of 8.68, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158945515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).