(4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone

C18H10ClNOS2 — CID 102161166

IUPAC(4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1sc2scnc2c1-c1ccccc1
InChIInChI=1S/C18H10ClNOS2/c19-13-8-6-12(7-9-13)16(21)17-14(11-4-2-1-3-5-11)15-18(23-17)22-10-20-15/h1-10H
InChIKeyCABDSFJMTDUQCJ-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.91
Rot. Bonds3

About (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone

(4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone (PubChem CID 102161166) has the molecular formula C18H10ClNOS2 and a molecular weight of 355.87 g/mol. Its IUPAC name is (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone
PubChem CID102161166
Molecular FormulaC18H10ClNOS2
Molecular Weight355.87 g/mol
Exact Mass354.99
IUPAC Name(4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1sc2scnc2c1-c1ccccc1
InChIInChI=1S/C18H10ClNOS2/c19-13-8-6-12(7-9-13)16(21)17-14(11-4-2-1-3-5-11)15-18(23-17)22-10-20-15/h1-10H
InChIKeyCABDSFJMTDUQCJ-UHFFFAOYSA-N
XLogP5.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
CID 10938449
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone
CID 13162445
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
N-[5-[(4-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 34306834
[5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone
CID 25146454
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 10150386
2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone (CID 102161166) is (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone is O=C(c1ccc(Cl)cc1)c1sc2scnc2c1-c1ccccc1.
What is the InChIKey of (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone?
The InChIKey is CABDSFJMTDUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNOS2/c19-13-8-6-12(7-9-13)16(21)17-14(11-4-2-1-3-5-11)15-18(23-17)22-10-20-15/h1-10H.
What are the key properties of (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone?
(4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone has a molecular weight of 355.87 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone is sourced from PubChem (CID 102161166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).