N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide

C20H21N3O2S — CID 46972103

IUPACN-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
SMILESCCc1sc(NC(=O)CCc2ccncc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-17-19(15-5-7-16(25-2)8-6-15)23-20(26-17)22-18(24)9-4-14-10-12-21-13-11-14/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,23,24)
InChIKeyYCINAFAFTZOYSH-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.35
Rot. Bonds7

About N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide

N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide (PubChem CID 46972103) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
PubChem CID46972103
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
SMILESCCc1sc(NC(=O)CCc2ccncc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-17-19(15-5-7-16(25-2)8-6-15)23-20(26-17)22-18(24)9-4-14-10-12-21-13-11-14/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,23,24)
InChIKeyYCINAFAFTZOYSH-UHFFFAOYSA-N
XLogP4.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
CID 156586306
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1348974
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
CID 19229213
(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792360
7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide (CID 46972103) is N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide is CCc1sc(NC(=O)CCc2ccncc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide?
The InChIKey is YCINAFAFTZOYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-17-19(15-5-7-16(25-2)8-6-15)23-20(26-17)22-18(24)9-4-14-10-12-21-13-11-14/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,23,24).
What are the key properties of N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide?
N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide has a molecular weight of 367.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 46972103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).