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

C10H12N2O3S — CID 61282560

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ncc(CNC(=O)C2CC2C(=O)O)s1
InChIInChI=1S/C10H12N2O3S/c1-5-11-3-6(16-5)4-12-9(13)7-2-8(7)10(14)15/h3,7-8H,2,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyHOEKHHSVWQDEGO-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.79
Rot. Bonds4

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

2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 61282560) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID61282560
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ncc(CNC(=O)C2CC2C(=O)O)s1
InChIInChI=1S/C10H12N2O3S/c1-5-11-3-6(16-5)4-12-9(13)7-2-8(7)10(14)15/h3,7-8H,2,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyHOEKHHSVWQDEGO-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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Related Compounds

(2S)-2-amino-3-methyl-5-[methyl(1,3-thiazol-5-ylmethyl)amino]-5-oxopentanoic acid
CID 70076569
(2R)-2-amino-3-methyl-5-[methyl(1,3-thiazol-5-ylmethyl)amino]-5-oxopentanoic acid
CID 70077525
2-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54875988
5-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid
CID 54876002
3-Methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid
CID 55155604
3,3-Dimethyl-5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid
CID 55157306
3-[(2-Methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55237341
2,2-Diethyl-4-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-4-oxobutanoic acid
CID 60949643
4-[(2-Methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 61281009
5-[(2-Methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid
CID 61281011
1-[2-[(2-Methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61281404
2,2-Diethyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 61281605

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 61282560) is 2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is Cc1ncc(CNC(=O)C2CC2C(=O)O)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HOEKHHSVWQDEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-5-11-3-6(16-5)4-12-9(13)7-2-8(7)10(14)15/h3,7-8H,2,4H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[(2-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-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61282560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).