1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C12H17N3O3S — CID 55171113

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ncsc1CNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H17N3O3S/c1-8-9(19-7-14-8)6-13-11(18)15-12(10(16)17)4-2-3-5-12/h7H,2-6H2,1H3,(H,16,17)(H2,13,15,18)
InChIKeyVNWZKYVSTYRGNT-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.65
Rot. Bonds4

About 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 55171113) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID55171113
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ncsc1CNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H17N3O3S/c1-8-9(19-7-14-8)6-13-11(18)15-12(10(16)17)4-2-3-5-12/h7H,2-6H2,1H3,(H,16,17)(H2,13,15,18)
InChIKeyVNWZKYVSTYRGNT-UHFFFAOYSA-N
XLogP1.65
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63823970
1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 54962816
1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 80592930
1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 115991294
1-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62996002
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16783827
(2S)-3-hydroxy-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 63283721
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
CID 76993739
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 107839922

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 55171113) is 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is Cc1ncsc1CNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is VNWZKYVSTYRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-9(19-7-14-8)6-13-11(18)15-12(10(16)17)4-2-3-5-12/h7H,2-6H2,1H3,(H,16,17)(H2,13,15,18).
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55171113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).