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

C15H14N2OS3 — CID 10616739

IUPAC4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
SMILESCc1c(-n2c(C)csc2=O)cccc1-n1c(C)csc1=S
InChIInChI=1S/C15H14N2OS3/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
InChIKeyNGUBTWFPJNTNAQ-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.41
Rot. Bonds2

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

4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one (PubChem CID 10616739) has the molecular formula C15H14N2OS3 and a molecular weight of 334.49 g/mol. Its IUPAC name is 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
PubChem CID10616739
Molecular FormulaC15H14N2OS3
Molecular Weight334.49 g/mol
Exact Mass334.03
IUPAC Name4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
SMILESCc1c(-n2c(C)csc2=O)cccc1-n1c(C)csc1=S
InChIInChI=1S/C15H14N2OS3/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
InChIKeyNGUBTWFPJNTNAQ-UHFFFAOYSA-N
XLogP4.41
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one (CID 10616739) is 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one is Cc1c(-n2c(C)csc2=O)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-thiazol-2-one?
The InChIKey is NGUBTWFPJNTNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS3/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-thiazol-2-one?
4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one has a molecular weight of 334.49 g/mol, XLogP of 4.41, 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-thiazol-2-one is sourced from PubChem (CID 10616739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).