2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H17N3O3S — CID 64817694

IUPAC2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1nc(C2CC2)cs1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H17N3O3S/c17-11(18)8-2-1-3-9(8)14-12(19)16-13-15-10(6-20-13)7-4-5-7/h6-9H,1-5H2,(H,17,18)(H2,14,15,16,19)
InChIKeyHDVNZIGTSMSYDN-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.40
Rot. Bonds4

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

2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64817694) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64817694
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1nc(C2CC2)cs1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H17N3O3S/c17-11(18)8-2-1-3-9(8)14-12(19)16-13-15-10(6-20-13)7-4-5-7/h6-9H,1-5H2,(H,17,18)(H2,14,15,16,19)
InChIKeyHDVNZIGTSMSYDN-UHFFFAOYSA-N
XLogP2.40
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 99645088
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 48806978
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817511
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992179
4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66250942
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851054
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64700681
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64817694) is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1nc(C2CC2)cs1)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is HDVNZIGTSMSYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-11(18)8-2-1-3-9(8)14-12(19)16-13-15-10(6-20-13)7-4-5-7/h6-9H,1-5H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).