(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C15H10ClNO2S2 — CID 46659444

IUPAC(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H10ClNO2S2/c16-12-3-1-2-10(6-12)7-19-15(18)13-9-21-14(17-13)11-4-5-20-8-11/h1-6,8-9H,7H2
InChIKeyQCZFJSHOFDUUCU-UHFFFAOYSA-N
MW335.84 g/mol
LogP4.88
Rot. Bonds4

About (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 46659444) has the molecular formula C15H10ClNO2S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID46659444
Molecular FormulaC15H10ClNO2S2
Molecular Weight335.84 g/mol
Exact Mass334.98
IUPAC Name(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H10ClNO2S2/c16-12-3-1-2-10(6-12)7-19-15(18)13-9-21-14(17-13)11-4-5-20-8-11/h1-6,8-9H,7H2
InChIKeyQCZFJSHOFDUUCU-UHFFFAOYSA-N
XLogP4.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604902
(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 17469662
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
1,3-benzothiazol-2-ylmethyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 40766094
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 8973569
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
(2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 55570096
(5-bromothiophen-3-yl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 55704837
thiophen-3-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594299
2-[4-[(3-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46067877

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 46659444) is (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is O=C(OCc1cccc(Cl)c1)c1csc(-c2ccsc2)n1.
What is the InChIKey of (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is QCZFJSHOFDUUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2S2/c16-12-3-1-2-10(6-12)7-19-15(18)13-9-21-14(17-13)11-4-5-20-8-11/h1-6,8-9H,7H2.
What are the key properties of (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 335.84 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46659444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).