3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide

C8H12N4O2S2 — CID 18550614

IUPAC3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCCSc1nsc(NC(=O)NC)c1C(N)=O
InChIInChI=1S/C8H12N4O2S2/c1-3-15-7-4(5(9)13)6(16-12-7)11-8(14)10-2/h3H2,1-2H3,(H2,9,13)(H2,10,11,14)
InChIKeyZTRVIVBIICNQCM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.11
Rot. Bonds4

About 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide

3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 18550614) has the molecular formula C8H12N4O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
PubChem CID18550614
Molecular FormulaC8H12N4O2S2
Molecular Weight260.34 g/mol
Exact Mass260.04
IUPAC Name3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCCSc1nsc(NC(=O)NC)c1C(N)=O
InChIInChI=1S/C8H12N4O2S2/c1-3-15-7-4(5(9)13)6(16-12-7)11-8(14)10-2/h3H2,1-2H3,(H2,9,13)(H2,10,11,14)
InChIKeyZTRVIVBIICNQCM-UHFFFAOYSA-N
XLogP1.11
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide 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

5-Acetamido-3-pentylsulfanyl-1,2-thiazole-4-carboxamide
CID 9947856
5-(Carbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxamide
CID 17923021
5-(Methylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide
CID 18549998
5-(Methylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxylic acid
CID 18550002
5-(Methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide
CID 18550161
2-[(4-Carbamoyl-3-pentylsulfanyl-1,2-thiazol-5-yl)carbamoylamino]acetic acid
CID 18550317
3-[[4-Carbamoyl-5-(dimethylcarbamoylamino)-1,2-thiazol-3-yl]sulfanyl]propanoic acid
CID 18550519
1,1-Dimethyl-3-(4-carbamoyl-3-(ethylthio)-5-isothiazolyl)urea
CID 18550636
5-(Dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide
CID 18550644
3-Pentylsulfanyl-5-(propylcarbamoylamino)-1,2-thiazole-4-carboxylic acid
CID 18550727
1-Methyl-3-(4-carbamoyl-3-(methylthio)-5-isothiazolyl)urea
CID 18550870
5-(Methylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid
CID 18550878

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide (CID 18550614) is 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide is CCSc1nsc(NC(=O)NC)c1C(N)=O.
What is the InChIKey of 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is ZTRVIVBIICNQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S2/c1-3-15-7-4(5(9)13)6(16-12-7)11-8(14)10-2/h3H2,1-2H3,(H2,9,13)(H2,10,11,14).
What are the key properties of 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide?
3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 18550614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).