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

C12H14N4OS — CID 66380424

IUPAC2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(CN)n2)cn1
InChIInChI=1S/C12H14N4OS/c1-8-2-3-9(5-14-8)6-15-12(17)10-7-18-11(4-13)16-10/h2-3,5,7H,4,6,13H2,1H3,(H,15,17)
InChIKeyPNEWUVDHZUNLBI-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.24
Rot. Bonds4

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

2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 66380424) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID66380424
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(CN)n2)cn1
InChIInChI=1S/C12H14N4OS/c1-8-2-3-9(5-14-8)6-15-12(17)10-7-18-11(4-13)16-10/h2-3,5,7H,4,6,13H2,1H3,(H,15,17)
InChIKeyPNEWUVDHZUNLBI-UHFFFAOYSA-N
XLogP1.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119848605
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119747520
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
2-(aminomethyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377255
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide
CID 100673789
2-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119730363
2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620358
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 66380424) is 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(CNC(=O)c2csc(CN)n2)cn1.
What is the InChIKey of 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PNEWUVDHZUNLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-2-3-9(5-14-8)6-15-12(17)10-7-18-11(4-13)16-10/h2-3,5,7H,4,6,13H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66380424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).