1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea

C8H13N3S2 — CID 103608992

IUPAC1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea
SMILESCNC(=S)NCCc1csc(C)n1
InChIInChI=1S/C8H13N3S2/c1-6-11-7(5-13-6)3-4-10-8(12)9-2/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyBWBYNMBSQYGUKU-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.09
Rot. Bonds3

About 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea

1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea (PubChem CID 103608992) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea
PubChem CID103608992
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea
SMILESCNC(=S)NCCc1csc(C)n1
InChIInChI=1S/C8H13N3S2/c1-6-11-7(5-13-6)3-4-10-8(12)9-2/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyBWBYNMBSQYGUKU-UHFFFAOYSA-N
XLogP1.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea 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

4-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 10964631
2-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 7536518
Methyl(2-(4-methyl-1,3-thiazol-2-yl)ethyl)amine
CID 4407731
4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 15017654
2-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-amine
CID 25219193
2-(2-Methyl-1,3-thiazol-4-yl)ethanethioamide
CID 25312775
2-(2-Tert-butyl-1,3-thiazol-4-yl)ethan-1-amine
CID 62928439
1-[2-(2-Ethyl-1,3-thiazol-4-yl)ethyl]-3-(thian-4-yl)urea
CID 53607372
2-(2-Ethyl-1,3-thiazol-4-yl)ethan-1-amine
CID 28064760
3-(4-Ethyl-1,3-thiazol-2-yl)propan-1-amine
CID 24261848
(2-(2-((Methylthio)methyl)-1,3-thiazol-4-yl)ethyl)amine
CID 45791210
2-(2-Ethyl-1,3-thiazol-4-yl)ethan-1-amine dihydrochloride
CID 50944161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea?
The IUPAC name of 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea (CID 103608992) is 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea.
What is the SMILES notation for 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea?
The canonical SMILES for 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea is CNC(=S)NCCc1csc(C)n1.
What is the InChIKey of 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea?
The InChIKey is BWBYNMBSQYGUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-6-11-7(5-13-6)3-4-10-8(12)9-2/h5H,3-4H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea?
1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea has a molecular weight of 215.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea is sourced from PubChem (CID 103608992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).