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

C14H14N2O3S2 — CID 56763088

IUPAC2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C14H14N2O3S2/c1-14(2)9(10(14)12(18)19)11(17)16-13-15-7(6-21-13)8-4-3-5-20-8/h3-6,9-10H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUHLOOCBRNCBVDR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.17
Rot. Bonds4

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

2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 56763088) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID56763088
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C14H14N2O3S2/c1-14(2)9(10(14)12(18)19)11(17)16-13-15-7(6-21-13)8-4-3-5-20-8/h3-6,9-10H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUHLOOCBRNCBVDR-UHFFFAOYSA-N
XLogP3.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
trans-(1S,3S)-3-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859109
(1S,2S,3S,4R)-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51373083
2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
CID 3068159
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6966078
2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108742123
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 43040962
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42896496
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 56763088) is 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UHLOOCBRNCBVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-14(2)9(10(14)12(18)19)11(17)16-13-15-7(6-21-13)8-4-3-5-20-8/h3-6,9-10H,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 322.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 56763088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).