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

C15H14N2S2 — CID 852228

IUPAC2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1nc(CSc2cc(C)c3ccccc3n2)cs1
InChIInChI=1S/C15H14N2S2/c1-10-7-15(17-14-6-4-3-5-13(10)14)19-9-12-8-18-11(2)16-12/h3-8H,9H2,1-2H3
InChIKeyHCWKXSJLNIVWTR-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.60
Rot. Bonds3

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

2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 852228) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID852228
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1nc(CSc2cc(C)c3ccccc3n2)cs1
InChIInChI=1S/C15H14N2S2/c1-10-7-15(17-14-6-4-3-5-13(10)14)19-9-12-8-18-11(2)16-12/h3-8H,9H2,1-2H3
InChIKeyHCWKXSJLNIVWTR-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole (CID 852228) is 2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole is Cc1nc(CSc2cc(C)c3ccccc3n2)cs1.
What is the InChIKey of 2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is HCWKXSJLNIVWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-10-7-15(17-14-6-4-3-5-13(10)14)19-9-12-8-18-11(2)16-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole?
2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 286.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 852228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).