2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone

C15H10ClNOS2 — CID 62366878

IUPAC2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESO=C(Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1
InChIInChI=1S/C15H10ClNOS2/c16-14-7-6-13(20-14)15-17-11(9-19-15)8-12(18)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyWJNCUYLOQKHNIZ-UHFFFAOYSA-N
MW319.84 g/mol
LogP4.95
Rot. Bonds4

About 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone (PubChem CID 62366878) has the molecular formula C15H10ClNOS2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
PubChem CID62366878
Molecular FormulaC15H10ClNOS2
Molecular Weight319.84 g/mol
Exact Mass318.99
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESO=C(Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1
InChIInChI=1S/C15H10ClNOS2/c16-14-7-6-13(20-14)15-17-11(9-19-15)8-12(18)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyWJNCUYLOQKHNIZ-UHFFFAOYSA-N
XLogP4.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119137122
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 167908848
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbutanoic acid
CID 119198929
4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 119203701
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 86841367
N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499585
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide
CID 119509433
N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119568399
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119509432
2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
CID 119252744
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone (CID 62366878) is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone is O=C(Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The InChIKey is WJNCUYLOQKHNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS2/c16-14-7-6-13(20-14)15-17-11(9-19-15)8-12(18)10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone has a molecular weight of 319.84 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone is sourced from PubChem (CID 62366878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).