5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole

C14H10ClNS2 — CID 70915032

IUPAC5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole
SMILESClc1ccccc1Cc1ccc(-c2cncs2)s1
InChIInChI=1S/C14H10ClNS2/c15-12-4-2-1-3-10(12)7-11-5-6-13(18-11)14-8-16-9-17-14/h1-6,8-9H,7H2
InChIKeyDSDTVWSTONCUJR-UHFFFAOYSA-N
MW291.83 g/mol
LogP5.12
Rot. Bonds3

About 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole

5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole (PubChem CID 70915032) has the molecular formula C14H10ClNS2 and a molecular weight of 291.83 g/mol. Its IUPAC name is 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole
PubChem CID70915032
Molecular FormulaC14H10ClNS2
Molecular Weight291.83 g/mol
Exact Mass290.99
IUPAC Name5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole
SMILESClc1ccccc1Cc1ccc(-c2cncs2)s1
InChIInChI=1S/C14H10ClNS2/c15-12-4-2-1-3-10(12)7-11-5-6-13(18-11)14-8-16-9-17-14/h1-6,8-9H,7H2
InChIKeyDSDTVWSTONCUJR-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.83
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
3-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-4-hydroxypyrrole-2,5-dione
CID 54686516
1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642906
5-(2-ethylphenyl)-1,3-thiazole
CID 67816581
2-(2-chlorophenyl)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717557
5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole
CID 90882349
5-[(2-chlorophenyl)methyl]-3H-1,3-thiazole-2-thione
CID 28811345
2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine
CID 58224015
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 15991410
5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259856
[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 125012221

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole?
The IUPAC name of 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole (CID 70915032) is 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole is Clc1ccccc1Cc1ccc(-c2cncs2)s1.
What is the InChIKey of 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole?
The InChIKey is DSDTVWSTONCUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNS2/c15-12-4-2-1-3-10(12)7-11-5-6-13(18-11)14-8-16-9-17-14/h1-6,8-9H,7H2.
What are the key properties of 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole?
5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole has a molecular weight of 291.83 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-chlorophenyl)methyl]thiophen-2-yl]-1,3-thiazole is sourced from PubChem (CID 70915032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).