2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid

C14H21N3O3S — CID 64699566

IUPAC2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid
SMILESCc1csc(CCNC(=O)NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-10-9-21-11(16-10)4-7-15-13(20)17-14(8-12(18)19)5-2-3-6-14/h9H,2-8H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyKLFBISHLGWIVHX-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.08
Rot. Bonds6

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

2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid (PubChem CID 64699566) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid
PubChem CID64699566
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid
SMILESCc1csc(CCNC(=O)NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-10-9-21-11(16-10)4-7-15-13(20)17-14(8-12(18)19)5-2-3-6-14/h9H,2-8H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyKLFBISHLGWIVHX-UHFFFAOYSA-N
XLogP2.08
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64700291
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63240888
2-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 80540928
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 81168695
2-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63241165
2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240803
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid (CID 64699566) is 2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid is Cc1csc(CCNC(=O)NC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid?
The InChIKey is KLFBISHLGWIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-9-21-11(16-10)4-7-15-13(20)17-14(8-12(18)19)5-2-3-6-14/h9H,2-8H2,1H3,(H,18,19)(H2,15,17,20).
What are the key properties of 2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid?
2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid has a molecular weight of 311.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64699566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).