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

C10H12N2O3S — CID 61464445

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(NC(=O)C2CC2C(=O)O)sc1C
InChIInChI=1S/C10H12N2O3S/c1-4-5(2)16-10(11-4)12-8(13)6-3-7(6)9(14)15/h6-7H,3H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyQPXLQJIJZZRGHQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.42
Rot. Bonds3

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

2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 61464445) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID61464445
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(NC(=O)C2CC2C(=O)O)sc1C
InChIInChI=1S/C10H12N2O3S/c1-4-5(2)16-10(11-4)12-8(13)6-3-7(6)9(14)15/h6-7H,3H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyQPXLQJIJZZRGHQ-UHFFFAOYSA-N
XLogP1.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 94226301
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
CID 74653127
trans-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 30610652
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782049
(2S,4R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843387
4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465991
cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093033
(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 94916867
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60710833
9-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984361
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680812
6-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17376307

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 61464445) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is Cc1nc(NC(=O)C2CC2C(=O)O)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QPXLQJIJZZRGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-4-5(2)16-10(11-4)12-8(13)6-3-7(6)9(14)15/h6-7H,3H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61464445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).