4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione

C15H14N2S4 — CID 639544

IUPAC4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione
SMILESCc1c(-n2c(C)csc2=S)cccc1-n1c(C)csc1=S
InChIInChI=1S/C15H14N2S4/c1-9-7-20-14(18)16(9)12-5-4-6-13(11(12)3)17-10(2)8-21-15(17)19/h4-8H,1-3H3
InChIKeyYVNSUIZBVBLQHC-UHFFFAOYSA-N
MW350.56 g/mol
LogP5.78
Rot. Bonds2

About 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione

4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione (PubChem CID 639544) has the molecular formula C15H14N2S4 and a molecular weight of 350.56 g/mol. Its IUPAC name is 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione
PubChem CID639544
Molecular FormulaC15H14N2S4
Molecular Weight350.56 g/mol
Exact Mass350.00
IUPAC Name4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione
SMILESCc1c(-n2c(C)csc2=S)cccc1-n1c(C)csc1=S
InChIInChI=1S/C15H14N2S4/c1-9-7-20-14(18)16(9)12-5-4-6-13(11(12)3)17-10(2)8-21-15(17)19/h4-8H,1-3H3
InChIKeyYVNSUIZBVBLQHC-UHFFFAOYSA-N
XLogP5.78
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.56
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-o-Tolyl-thiazolidine-2-thione
CID 21324754
1-(4-methylphenyl)-1H-pyrrole-2,5-dithione
CID 1223717
4-methyl-3-(o-tolyl)thiazole-2(3H)-thione
CID 12925584
3-(4-methylphenyl)-8aH-cyclohepta[d][1,3]thiazole-2-thione
CID 15074687
4-Hydroxy-3-(2-methylphenyl)-1,3-thiazole-2-thione
CID 91033928
4-Methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione
CID 902225
2(3H)-thiazolethione, 3,3'-(2-methyl-1,3-phenylene)bis[4,5-dimethyl-
CID 639545
2(3H)-thiazolone, 3,3'-(2-methyl-1,3-phenylene)bis[4-methyl-
CID 639546
3,4-Diphenyl-1,3-thiazole-2-thione
CID 3765883
3-(2-Tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione
CID 12064566
3-(2,3-Dimethylphenyl)-4-methyl-1,3-thiazole-2-thione
CID 14220777
4-methyl-3-(o-tolyl)-3H-thiazol-2-one
CID 14220779

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
The IUPAC name of 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione (CID 639544) is 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
The canonical SMILES for 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione is Cc1c(-n2c(C)csc2=S)cccc1-n1c(C)csc1=S.
What is the InChIKey of 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
The InChIKey is YVNSUIZBVBLQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S4/c1-9-7-20-14(18)16(9)12-5-4-6-13(11(12)3)17-10(2)8-21-15(17)19/h4-8H,1-3H3.
What are the key properties of 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione has a molecular weight of 350.56 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 639544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).