N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

C10H13N3O2S2 — CID 38309039

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1SCC(N)=O
InChIInChI=1S/C10H13N3O2S2/c1-5-9(16-4-7(11)14)17-10(12-5)13-8(15)6-2-3-6/h6H,2-4H2,1H3,(H2,11,14)(H,12,13,15)
InChIKeyNNBGXFXTFPNPEN-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.38
Rot. Bonds5

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 38309039) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID38309039
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1SCC(N)=O
InChIInChI=1S/C10H13N3O2S2/c1-5-9(16-4-7(11)14)17-10(12-5)13-8(15)6-2-3-6/h6H,2-4H2,1H3,(H2,11,14)(H,12,13,15)
InChIKeyNNBGXFXTFPNPEN-UHFFFAOYSA-N
XLogP1.38
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119291959
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55853252
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 38308718
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide
CID 39025643
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 38585979
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 39024026
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 39024284
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 39024795
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 39026198
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-bromo-2-chlorobenzamide
CID 39023992
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56546158
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 39025508

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 38309039) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is Cc1nc(NC(=O)C2CC2)sc1SCC(N)=O.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is NNBGXFXTFPNPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-5-9(16-4-7(11)14)17-10(12-5)13-8(15)6-2-3-6/h6H,2-4H2,1H3,(H2,11,14)(H,12,13,15).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 271.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 38309039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).