(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone

C26H17NOS — CID 147321417

IUPAC(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(-c2ccc3ccccc3c2)nc1-c1ccccc1
InChIInChI=1S/C26H17NOS/c28-24(20-12-5-2-6-13-20)25-23(19-10-3-1-4-11-19)27-26(29-25)22-16-15-18-9-7-8-14-21(18)17-22/h1-17H
InChIKeyCZWJVCRQXLQDOV-UHFFFAOYSA-N
MW391.50 g/mol
LogP6.86
Rot. Bonds4

About (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone

(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone (PubChem CID 147321417) has the molecular formula C26H17NOS and a molecular weight of 391.50 g/mol. Its IUPAC name is (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
PubChem CID147321417
Molecular FormulaC26H17NOS
Molecular Weight391.50 g/mol
Exact Mass391.10
IUPAC Name(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(-c2ccc3ccccc3c2)nc1-c1ccccc1
InChIInChI=1S/C26H17NOS/c28-24(20-12-5-2-6-13-20)25-23(19-10-3-1-4-11-19)27-26(29-25)22-16-15-18-9-7-8-14-21(18)17-22/h1-17H
InChIKeyCZWJVCRQXLQDOV-UHFFFAOYSA-N
XLogP6.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696152
phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone
CID 102420366
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone
CID 10110569
[4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone
CID 174473560
2-naphthalen-2-yl-5-phenyl-1,3-thiazole
CID 90384723
2-tert-butyl-4-naphthalen-2-yl-1,3-thiazole-5-carboxylic acid
CID 69475453
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 5203607
[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 135139835

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
The IUPAC name of (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone (CID 147321417) is (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone is O=C(c1ccccc1)c1sc(-c2ccc3ccccc3c2)nc1-c1ccccc1.
What is the InChIKey of (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
The InChIKey is CZWJVCRQXLQDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NOS/c28-24(20-12-5-2-6-13-20)25-23(19-10-3-1-4-11-19)27-26(29-25)22-16-15-18-9-7-8-14-21(18)17-22/h1-17H.
What are the key properties of (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone has a molecular weight of 391.50 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 147321417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).