3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid

C13H18N2O3S — CID 103550386

IUPAC3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(CN(C)C(=O)C2CCC(C(=O)O)C2)s1
InChIInChI=1S/C13H18N2O3S/c1-8-14-6-11(19-8)7-15(2)12(16)9-3-4-10(5-9)13(17)18/h6,9-10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySXEQTPXYXCUDMX-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.91
Rot. Bonds4

About 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid

3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550386) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550386
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(CN(C)C(=O)C2CCC(C(=O)O)C2)s1
InChIInChI=1S/C13H18N2O3S/c1-8-14-6-11(19-8)7-15(2)12(16)9-3-4-10(5-9)13(17)18/h6,9-10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySXEQTPXYXCUDMX-UHFFFAOYSA-N
XLogP1.91
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103550386) is 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid is Cc1ncc(CN(C)C(=O)C2CCC(C(=O)O)C2)s1.
What is the InChIKey of 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SXEQTPXYXCUDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8-14-6-11(19-8)7-15(2)12(16)9-3-4-10(5-9)13(17)18/h6,9-10H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).