2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide

C11H19N3OS — CID 66377228

IUPAC2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1csc(CN)n1
InChIInChI=1S/C11H19N3OS/c1-7(2)4-8(3)13-11(15)9-6-16-10(5-12)14-9/h6-8H,4-5,12H2,1-3H3,(H,13,15)
InChIKeyMWWSNOORNJRSOX-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.77
Rot. Bonds5

About 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66377228) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID66377228
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1csc(CN)n1
InChIInChI=1S/C11H19N3OS/c1-7(2)4-8(3)13-11(15)9-6-16-10(5-12)14-9/h6-8H,4-5,12H2,1-3H3,(H,13,15)
InChIKeyMWWSNOORNJRSOX-UHFFFAOYSA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 79036145
2-(aminomethyl)-N-(4-amino-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740649
methyl (2S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954914
2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide
CID 115740323
2-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66380626
2-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740091
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]butanoate;hydrochloride
CID 119695198
2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119791060
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356
2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66377259
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide (CID 66377228) is 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide is CC(C)CC(C)NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MWWSNOORNJRSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)4-8(3)13-11(15)9-6-16-10(5-12)14-9/h6-8H,4-5,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).