2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid

C12H17N3O3S — CID 82763307

IUPAC2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1csc(CN)n1
InChIInChI=1S/C12H17N3O3S/c1-12(11(17)18)4-2-3-8(12)15-10(16)7-6-19-9(5-13)14-7/h6,8H,2-5,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyJMXGVXRTSCEHCN-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.98
Rot. Bonds4

About 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid

2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763307) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763307
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1csc(CN)n1
InChIInChI=1S/C12H17N3O3S/c1-12(11(17)18)4-2-3-8(12)15-10(16)7-6-19-9(5-13)14-7/h6,8H,2-5,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyJMXGVXRTSCEHCN-UHFFFAOYSA-N
XLogP0.98
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 115739557
1-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 83213901
1-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 66377481
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974
1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312244
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 119783085
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 103810798

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82763307) is 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is JMXGVXRTSCEHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-12(11(17)18)4-2-3-8(12)15-10(16)7-6-19-9(5-13)14-7/h6,8H,2-5,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).