1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H21N3O3S — CID 82764933

IUPAC1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1csc(C(C)NC(=O)NC2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C14H21N3O3S/c1-8-7-21-11(15-8)9(2)16-13(20)17-10-5-4-6-14(10,3)12(18)19/h7,9-10H,4-6H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyJFQHUUNDXHQXJP-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.46
Rot. Bonds4

About 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 82764933) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID82764933
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1csc(C(C)NC(=O)NC2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C14H21N3O3S/c1-8-7-21-11(15-8)9(2)16-13(20)17-10-5-4-6-14(10,3)12(18)19/h7,9-10H,4-6H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyJFQHUUNDXHQXJP-UHFFFAOYSA-N
XLogP2.46
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111630900
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765533
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 154802907
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760107
1-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95614224
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
1-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 83213901
1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71918300
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 82764933) is 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is Cc1csc(C(C)NC(=O)NC2CCCC2(C)C(=O)O)n1.
What is the InChIKey of 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JFQHUUNDXHQXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8-7-21-11(15-8)9(2)16-13(20)17-10-5-4-6-14(10,3)12(18)19/h7,9-10H,4-6H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).