N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

C19H19N3O2S — CID 110329998

IUPACN-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C19H19N3O2S/c1-24-17-5-3-2-4-15(17)12-21-18(23)7-6-16-13-25-19(22-16)14-8-10-20-11-9-14/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,23)
InChIKeyCEXPTLSNDUHJFH-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.46
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110329998) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110329998
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C19H19N3O2S/c1-24-17-5-3-2-4-15(17)12-21-18(23)7-6-16-13-25-19(22-16)14-8-10-20-11-9-14/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,23)
InChIKeyCEXPTLSNDUHJFH-UHFFFAOYSA-N
XLogP3.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802581
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110333023
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333516
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110329998) is N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is COc1ccccc1CNC(=O)CCc1csc(-c2ccncc2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is CEXPTLSNDUHJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-24-17-5-3-2-4-15(17)12-21-18(23)7-6-16-13-25-19(22-16)14-8-10-20-11-9-14/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110329998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).