2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole

C15H13NS — CID 21058775

IUPAC2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
SMILESCc1nc(-c2ccc3ccccc3c2)c(C)s1
InChIInChI=1S/C15H13NS/c1-10-15(16-11(2)17-10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3
InChIKeyIMJFGXFNROQNCZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.58
Rot. Bonds1

About 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole

2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole (PubChem CID 21058775) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
PubChem CID21058775
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
SMILESCc1nc(-c2ccc3ccccc3c2)c(C)s1
InChIInChI=1S/C15H13NS/c1-10-15(16-11(2)17-10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3
InChIKeyIMJFGXFNROQNCZ-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline
CID 82126255
4-[(5-methyl-4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonic acid
CID 21058801
4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine
CID 82366106
2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
CID 67621456
4-(2-chlorophenyl)-2,5-dimethyl-1,3-thiazole
CID 18342389
2-methyl-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 130266122
4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole
CID 116856703
4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-fluorophenyl)methyl]aniline
CID 90393761
3-naphthalen-2-yl-1,4-benzothiazin-2-one
CID 139215524
3-methyl-5-naphthalen-2-yl-2-phenylpyrazine
CID 58991358
2-methyl-5-phenoxy-4-phenyl-1,3-thiazole
CID 154105354
2-(2,5-dimethylphenyl)naphthalene
CID 59648717

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole (CID 21058775) is 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole is Cc1nc(-c2ccc3ccccc3c2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole?
The InChIKey is IMJFGXFNROQNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-10-15(16-11(2)17-10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3.
What are the key properties of 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole?
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole has a molecular weight of 239.34 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 21058775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).