N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide

C19H17ClN2O2S — CID 7518350

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C19H17ClN2O2S/c1-24-17-4-2-3-14(11-17)18(23)21-10-9-16-12-25-19(22-16)13-5-7-15(20)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,23)
InChIKeyYDWRNQJVLGQDRY-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.44
Rot. Bonds6

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide (PubChem CID 7518350) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide
PubChem CID7518350
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C19H17ClN2O2S/c1-24-17-4-2-3-14(11-17)18(23)21-10-9-16-12-25-19(22-16)13-5-7-15(20)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,23)
InChIKeyYDWRNQJVLGQDRY-UHFFFAOYSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide (CID 7518350) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide?
The InChIKey is YDWRNQJVLGQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-24-17-4-2-3-14(11-17)18(23)21-10-9-16-12-25-19(22-16)13-5-7-15(20)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,23).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide has a molecular weight of 372.88 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 7518350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).