2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C10H12N2O3S — CID 63280882

IUPAC2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ncsc1CNC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H12N2O3S/c1-5-8(16-4-12-5)3-11-9(13)6-2-7(6)10(14)15/h4,6-7H,2-3H2,1H3,(H,11,13)(H,14,15)
InChIKeyOWWYXBHEXVJURA-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.79
Rot. Bonds4

About 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 63280882) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID63280882
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ncsc1CNC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H12N2O3S/c1-5-8(16-4-12-5)3-11-9(13)6-2-7(6)10(14)15/h4,6-7H,2-3H2,1H3,(H,11,13)(H,14,15)
InChIKeyOWWYXBHEXVJURA-UHFFFAOYSA-N
XLogP0.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 63280882) is 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is Cc1ncsc1CNC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is OWWYXBHEXVJURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-5-8(16-4-12-5)3-11-9(13)6-2-7(6)10(14)15/h4,6-7H,2-3H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 63280882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).