3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C12H15N3O4S — CID 56762274

IUPAC3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C12H15N3O4S/c1-12(2)7(8(12)10(18)19)9(17)15-11-14-5(4-20-11)3-6(13)16/h4,7-8H,3H2,1-2H3,(H2,13,16)(H,18,19)(H,14,15,17)
InChIKeyQTNRKRVWUXYMBA-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.47
Rot. Bonds5

About 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 56762274) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID56762274
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C12H15N3O4S/c1-12(2)7(8(12)10(18)19)9(17)15-11-14-5(4-20-11)3-6(13)16/h4,7-8H,3H2,1-2H3,(H2,13,16)(H,18,19)(H,14,15,17)
InChIKeyQTNRKRVWUXYMBA-UHFFFAOYSA-N
XLogP0.47
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 95391280
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
ethyl 2-[2-[[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 141162642
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 17443412
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 17465652
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 30177206
ethyl 4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 42437024

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 56762274) is 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)Nc1nc(CC(N)=O)cs1.
What is the InChIKey of 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is QTNRKRVWUXYMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-12(2)7(8(12)10(18)19)9(17)15-11-14-5(4-20-11)3-6(13)16/h4,7-8H,3H2,1-2H3,(H2,13,16)(H,18,19)(H,14,15,17).
What are the key properties of 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 56762274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).