1-methyl-3-(1,3-thiazol-2-yl)thiourea

C5H7N3S2 — CID 3037328

IUPAC1-methyl-3-(1,3-thiazol-2-yl)thiourea
SMILESCNC(=S)Nc1nccs1
InChIInChI=1S/C5H7N3S2/c1-6-4(9)8-5-7-2-3-10-5/h2-3H,1H3,(H2,6,7,8,9)
InChIKeyZAWPTHKVMMXVTH-UHFFFAOYSA-N
MW173.27 g/mol
LogP1.06
Rot. Bonds1

About 1-methyl-3-(1,3-thiazol-2-yl)thiourea

1-methyl-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3037328) has the molecular formula C5H7N3S2 and a molecular weight of 173.27 g/mol. Its IUPAC name is 1-methyl-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3037328
Molecular FormulaC5H7N3S2
Molecular Weight173.27 g/mol
Exact Mass173.01
IUPAC Name1-methyl-3-(1,3-thiazol-2-yl)thiourea
SMILESCNC(=S)Nc1nccs1
InChIInChI=1S/C5H7N3S2/c1-6-4(9)8-5-7-2-3-10-5/h2-3H,1H3,(H2,6,7,8,9)
InChIKeyZAWPTHKVMMXVTH-UHFFFAOYSA-N
XLogP1.06
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminothiazole
CID 2155
2-Acetamidothiazole
CID 17625
[[(2-Thiazolyl)amino]methylene]-1,1-bisphosphonate
CID 405391
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314
1-Propyl-3-(1,3-thiazol-2-yl)urea
CID 2130249
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-Methyl-N'-1,3-thiazol-2-ylurea
CID 326069
2-((1,3-Thiazol-2-ylamino)methylene)malononitrile
CID 2800869
1-(Thiazol-2-yl)piperazine
CID 911806
N-methyl-1,3-thiazol-2-amine
CID 11959081
Guanidine, N-(1,1-dimethylethyl)-N',N''-bis(2-thiazolyl)-
CID 3055125
[[Hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid
CID 11097596

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-methyl-3-(1,3-thiazol-2-yl)thiourea (CID 3037328) is 1-methyl-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-methyl-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-methyl-3-(1,3-thiazol-2-yl)thiourea is CNC(=S)Nc1nccs1.
What is the InChIKey of 1-methyl-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is ZAWPTHKVMMXVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S2/c1-6-4(9)8-5-7-2-3-10-5/h2-3H,1H3,(H2,6,7,8,9).
What are the key properties of 1-methyl-3-(1,3-thiazol-2-yl)thiourea?
1-methyl-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 173.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3037328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).