2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid

C15H20N2O3S — CID 120976146

IUPAC2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1csc(C2(NC(=O)C3CCC3C(=O)O)CCCC2)n1
InChIInChI=1S/C15H20N2O3S/c1-9-8-21-14(16-9)15(6-2-3-7-15)17-12(18)10-4-5-11(10)13(19)20/h8,10-11H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyYEJNAZBPRVJNEF-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.45
Rot. Bonds4

About 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976146) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976146
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1csc(C2(NC(=O)C3CCC3C(=O)O)CCCC2)n1
InChIInChI=1S/C15H20N2O3S/c1-9-8-21-14(16-9)15(6-2-3-7-15)17-12(18)10-4-5-11(10)13(19)20/h8,10-11H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyYEJNAZBPRVJNEF-UHFFFAOYSA-N
XLogP2.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate
CID 86783848
2,6-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]oxane-4-carboxamide
CID 136519707
4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid
CID 119185190
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide
CID 119874183
2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
CID 111520473
2-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
CID 119887402
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61335254
2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride
CID 119887409
(6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 125141173
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide
CID 119874151
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119887424
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]-2-pyrrolidin-2-ylacetamide
CID 119874175

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120976146) is 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid is Cc1csc(C2(NC(=O)C3CCC3C(=O)O)CCCC2)n1.
What is the InChIKey of 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is YEJNAZBPRVJNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9-8-21-14(16-9)15(6-2-3-7-15)17-12(18)10-4-5-11(10)13(19)20/h8,10-11H,2-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).