N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

C19H17ClN2O3S — CID 34804612

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-12-6-17(18(24-2)8-16(12)20)22-19(23)13-4-3-5-15(7-13)25-9-14-10-26-11-21-14/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyMSSXWPQJCAJCGM-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.94
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 34804612) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID34804612
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-12-6-17(18(24-2)8-16(12)20)22-19(23)13-4-3-5-15(7-13)25-9-14-10-26-11-21-14/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyMSSXWPQJCAJCGM-UHFFFAOYSA-N
XLogP4.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 34804612) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is MSSXWPQJCAJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-12-6-17(18(24-2)8-16(12)20)22-19(23)13-4-3-5-15(7-13)25-9-14-10-26-11-21-14/h3-8,10-11H,9H2,1-2H3,(H,22,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 388.88 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 34804612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).