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

C17H15ClN2O2S2 — CID 55570096

IUPAC(2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(COC(=O)c2csc(-c3cccc(Cl)c3)n2)cs1
InChIInChI=1S/C17H15ClN2O2S2/c1-2-4-15-19-13(9-23-15)8-22-17(21)14-10-24-16(20-14)11-5-3-6-12(18)7-11/h3,5-7,9-10H,2,4,8H2,1H3
InChIKeyLBDBFXNYEHLPPL-UHFFFAOYSA-N
MW378.91 g/mol
LogP5.23
Rot. Bonds6

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

(2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 55570096) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is (2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID55570096
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC Name(2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(COC(=O)c2csc(-c3cccc(Cl)c3)n2)cs1
InChIInChI=1S/C17H15ClN2O2S2/c1-2-4-15-19-13(9-23-15)8-22-17(21)14-10-24-16(20-14)11-5-3-6-12(18)7-11/h3,5-7,9-10H,2,4,8H2,1H3
InChIKeyLBDBFXNYEHLPPL-UHFFFAOYSA-N
XLogP5.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.91
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55570949
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 8973569
[2-(butan-2-ylamino)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46827348
(4-methoxyphenyl) 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 134052740
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-chlorobenzoate
CID 7860043
(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659444
[2-(4-bromophenyl)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46827232
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27789234
ethyl 4-amino-2-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 37160400
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27789146
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27789181

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate (CID 55570096) is (2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate is CCCc1nc(COC(=O)c2csc(-c3cccc(Cl)c3)n2)cs1.
What is the InChIKey of (2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is LBDBFXNYEHLPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c1-2-4-15-19-13(9-23-15)8-22-17(21)14-10-24-16(20-14)11-5-3-6-12(18)7-11/h3,5-7,9-10H,2,4,8H2,1H3.
What are the key properties of (2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
(2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 378.91 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55570096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).