1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

C11H15N3O3S — CID 54962816

IUPAC1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1nccs1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H15N3O3S/c15-9(16)11(3-1-2-4-11)14-10(17)13-7-8-12-5-6-18-8/h5-6H,1-4,7H2,(H,15,16)(H2,13,14,17)
InChIKeyHDAHSTPMADAXJV-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.34
Rot. Bonds4

About 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 54962816) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID54962816
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1nccs1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H15N3O3S/c15-9(16)11(3-1-2-4-11)14-10(17)13-7-8-12-5-6-18-8/h5-6H,1-4,7H2,(H,15,16)(H2,13,14,17)
InChIKeyHDAHSTPMADAXJV-UHFFFAOYSA-N
XLogP1.34
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 82238390
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16783827
1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63823970
1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 55171113
2-[1-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61283476
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293009
1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311421
1-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62996002
1-(2-thiophen-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61191882
3-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55147887

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 54962816) is 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCc1nccs1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is HDAHSTPMADAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-9(16)11(3-1-2-4-11)14-10(17)13-7-8-12-5-6-18-8/h5-6H,1-4,7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54962816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).