2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C15H16N6OS — CID 166340616

IUPAC2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3csc(CN)n3)cn2)c1C
InChIInChI=1S/C15H16N6OS/c1-9-10(2)21(8-18-9)13-4-3-11(6-17-13)19-15(22)12-7-23-14(5-16)20-12/h3-4,6-8H,5,16H2,1-2H3,(H,19,22)
InChIKeyCTJBBVPFBFGCIB-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.05
Rot. Bonds4

About 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 166340616) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID166340616
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3csc(CN)n3)cn2)c1C
InChIInChI=1S/C15H16N6OS/c1-9-10(2)21(8-18-9)13-4-3-11(6-17-13)19-15(22)12-7-23-14(5-16)20-12/h3-4,6-8H,5,16H2,1-2H3,(H,19,22)
InChIKeyCTJBBVPFBFGCIB-UHFFFAOYSA-N
XLogP2.05
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide
CID 166305109
2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119839710
2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376658
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065
2-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 107574146
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119739512
2-(aminomethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376479

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 166340616) is 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3csc(CN)n3)cn2)c1C.
What is the InChIKey of 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CTJBBVPFBFGCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-9-10(2)21(8-18-9)13-4-3-11(6-17-13)19-15(22)12-7-23-14(5-16)20-12/h3-4,6-8H,5,16H2,1-2H3,(H,19,22).
What are the key properties of 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166340616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).