2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide

C13H18N4OS2 — CID 119810816

IUPAC2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)c2csc(CN)n2)s1
InChIInChI=1S/C13H18N4OS2/c1-7(2)4-9-13(20-8(3)15-9)17-12(18)10-6-19-11(5-14)16-10/h6-7H,4-5,14H2,1-3H3,(H,17,18)
InChIKeyKTIOPAOIZDFUAE-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.82
Rot. Bonds5

About 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 119810816) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID119810816
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)c2csc(CN)n2)s1
InChIInChI=1S/C13H18N4OS2/c1-7(2)4-9-13(20-8(3)15-9)17-12(18)10-6-19-11(5-14)16-10/h6-7H,4-5,14H2,1-3H3,(H,17,18)
InChIKeyKTIOPAOIZDFUAE-UHFFFAOYSA-N
XLogP2.82
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637239
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
CID 119339125
2-(aminomethyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671516
methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 66376322
2-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66380626
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 79036145
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazole-4-carboxamide
CID 115564435
2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
CID 103307161
2-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377301
2-(aminomethyl)-N-(4-amino-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740649
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide (CID 119810816) is 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide is Cc1nc(CC(C)C)c(NC(=O)c2csc(CN)n2)s1.
What is the InChIKey of 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KTIOPAOIZDFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-7(2)4-9-13(20-8(3)15-9)17-12(18)10-6-19-11(5-14)16-10/h6-7H,4-5,14H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 310.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119810816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).