1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H18N2O3S — CID 61464835

IUPAC1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(NC(=O)CC2(C(=O)O)CCCC2)sc1C
InChIInChI=1S/C13H18N2O3S/c1-8-9(2)19-12(14-8)15-10(16)7-13(11(17)18)5-3-4-6-13/h3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyXUDXIZNMQNEABE-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 61464835) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID61464835
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(NC(=O)CC2(C(=O)O)CCCC2)sc1C
InChIInChI=1S/C13H18N2O3S/c1-8-9(2)19-12(14-8)15-10(16)7-13(11(17)18)5-3-4-6-13/h3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyXUDXIZNMQNEABE-UHFFFAOYSA-N
XLogP2.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 61464835) is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is Cc1nc(NC(=O)CC2(C(=O)O)CCCC2)sc1C.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is XUDXIZNMQNEABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8-9(2)19-12(14-8)15-10(16)7-13(11(17)18)5-3-4-6-13/h3-7H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61464835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).