N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

C19H18ClN3O2S — CID 110410518

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C19H18ClN3O2S/c1-12-8-15(17(25-2)9-14(12)20)22-18(24)5-6-19-23-16(11-26-19)13-4-3-7-21-10-13/h3-4,7-11H,5-6H2,1-2H3,(H,22,24)
InChIKeyWDEZWSLEEUZCEM-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.75
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110410518) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110410518
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C19H18ClN3O2S/c1-12-8-15(17(25-2)9-14(12)20)22-18(24)5-6-19-23-16(11-26-19)13-4-3-7-21-10-13/h3-4,7-11H,5-6H2,1-2H3,(H,22,24)
InChIKeyWDEZWSLEEUZCEM-UHFFFAOYSA-N
XLogP4.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649722
N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649753
N-(3,5-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110408417
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3515745
N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110650544
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23773445
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110422465
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55914654
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113120522
N-(2-methoxy-5-methylphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110422461
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 110410518) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WDEZWSLEEUZCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-12-8-15(17(25-2)9-14(12)20)22-18(24)5-6-19-23-16(11-26-19)13-4-3-7-21-10-13/h3-4,7-11H,5-6H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 387.89 g/mol, XLogP of 4.75, 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-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110410518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).