4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol

C9H9NS3 — CID 116885996

IUPAC4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol
SMILESCc1ccsc1-c1nc(C)c(S)s1
InChIInChI=1S/C9H9NS3/c1-5-3-4-12-7(5)8-10-6(2)9(11)13-8/h3-4,11H,1-2H3
InChIKeyZOLNEHCEIPQTBE-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.78
Rot. Bonds1

About 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol

4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol (PubChem CID 116885996) has the molecular formula C9H9NS3 and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol.

Molecular Properties

Compound Name4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol
PubChem CID116885996
Molecular FormulaC9H9NS3
Molecular Weight227.38 g/mol
Exact Mass226.99
IUPAC Name4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol
SMILESCc1ccsc1-c1nc(C)c(S)s1
InChIInChI=1S/C9H9NS3/c1-5-3-4-12-7(5)8-10-6(2)9(11)13-8/h3-4,11H,1-2H3
InChIKeyZOLNEHCEIPQTBE-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
CID 116885891
4-methyl-2-(3-methylthiophen-2-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 116887494
2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884531
2,6-bis(3-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 146695728
1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884665
N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
5,6-dimethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 62203881
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401
2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol
CID 116885934
2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140374
2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 79991553
2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile
CID 116890031

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol?
The IUPAC name of 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol (CID 116885996) is 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol.
What is the SMILES notation for 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol?
The canonical SMILES for 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol is Cc1ccsc1-c1nc(C)c(S)s1.
What is the InChIKey of 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol?
The InChIKey is ZOLNEHCEIPQTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS3/c1-5-3-4-12-7(5)8-10-6(2)9(11)13-8/h3-4,11H,1-2H3.
What are the key properties of 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol?
4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol has a molecular weight of 227.38 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol is sourced from PubChem (CID 116885996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).