2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide

C18H16N6OS — CID 56752068

IUPAC2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2-n2ccnc2)cc2sc(N)nc12
InChIInChI=1S/C18H16N6OS/c1-11-7-13(8-14-15(11)23-18(19)26-14)17(25)22-9-12-3-2-4-21-16(12)24-6-5-20-10-24/h2-8,10H,9H2,1H3,(H2,19,23)(H,22,25)
InChIKeyCNOWMGAOZAWSQO-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide

2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 56752068) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID56752068
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2-n2ccnc2)cc2sc(N)nc12
InChIInChI=1S/C18H16N6OS/c1-11-7-13(8-14-15(11)23-18(19)26-14)17(25)22-9-12-3-2-4-21-16(12)24-6-5-20-10-24/h2-8,10H,9H2,1H3,(H2,19,23)(H,22,25)
InChIKeyCNOWMGAOZAWSQO-UHFFFAOYSA-N
XLogP2.70
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide (CID 56752068) is 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide is Cc1cc(C(=O)NCc2cccnc2-n2ccnc2)cc2sc(N)nc12.
What is the InChIKey of 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is CNOWMGAOZAWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-11-7-13(8-14-15(11)23-18(19)26-14)17(25)22-9-12-3-2-4-21-16(12)24-6-5-20-10-24/h2-8,10H,9H2,1H3,(H2,19,23)(H,22,25).
What are the key properties of 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 56752068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).