1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H18N2O3S — CID 120515087

IUPAC1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ncc(C(=O)NC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-8(2)11-14-7-9(19-11)10(16)15-13(12(17)18)5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDSFMRMFSQAJIFX-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.39
Rot. Bonds4

About 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120515087) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120515087
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ncc(C(=O)NC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-8(2)11-14-7-9(19-11)10(16)15-13(12(17)18)5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDSFMRMFSQAJIFX-UHFFFAOYSA-N
XLogP2.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56799138
2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521521
3-methyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 120513288
1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 83703234
1-[(5-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341656
1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239137
1-[(4,5-dibromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239155
1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539118
1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515069
1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538586
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
4-methoxy-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 120701936

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120515087) is 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is CC(C)c1ncc(C(=O)NC2(C(=O)O)CCCC2)s1.
What is the InChIKey of 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DSFMRMFSQAJIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8(2)11-14-7-9(19-11)10(16)15-13(12(17)18)5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120515087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).