4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole

C12H13NS2 — CID 112694962

IUPAC4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
SMILESCc1cccc(SCc2nc(C)cs2)c1
InChIInChI=1S/C12H13NS2/c1-9-4-3-5-11(6-9)14-8-12-13-10(2)7-15-12/h3-7H,8H2,1-2H3
InChIKeyPAWJISSCQCMEON-UHFFFAOYSA-N
MW235.38 g/mol
LogP4.05
Rot. Bonds3

About 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole

4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 112694962) has the molecular formula C12H13NS2 and a molecular weight of 235.38 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID112694962
Molecular FormulaC12H13NS2
Molecular Weight235.38 g/mol
Exact Mass235.05
IUPAC Name4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
SMILESCc1cccc(SCc2nc(C)cs2)c1
InChIInChI=1S/C12H13NS2/c1-9-4-3-5-11(6-9)14-8-12-13-10(2)7-15-12/h3-7H,8H2,1-2H3
InChIKeyPAWJISSCQCMEON-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 66112549
methyl 2-[2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-4-yl]acetate
CID 80574100
1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62795308
5-[(3-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80614562
6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66088954
2-(4-chlorophenyl)-4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 46083230
1-[4-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841198
N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66087621
5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66087015
4-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-5-carboxylic acid
CID 113459171
4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63579999
N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796536

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole (CID 112694962) is 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole is Cc1cccc(SCc2nc(C)cs2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is PAWJISSCQCMEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS2/c1-9-4-3-5-11(6-9)14-8-12-13-10(2)7-15-12/h3-7H,8H2,1-2H3.
What are the key properties of 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole?
4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 235.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 112694962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).