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

C22H23ClN2O3S — CID 1176029

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(OC)c(OC)c1)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C22H23ClN2O3S/c1-4-21(26)25(12-11-15-5-10-19(27-2)20(13-15)28-3)22-24-18(14-29-22)16-6-8-17(23)9-7-16/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyHBEGRWCPYOVMMA-UHFFFAOYSA-N
MW430.96 g/mol
LogP5.47
Rot. Bonds8

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 1176029) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID1176029
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(OC)c(OC)c1)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C22H23ClN2O3S/c1-4-21(26)25(12-11-15-5-10-19(27-2)20(13-15)28-3)22-24-18(14-29-22)16-6-8-17(23)9-7-16/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyHBEGRWCPYOVMMA-UHFFFAOYSA-N
XLogP5.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 653894
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
(4Z)-2-[4-(4-chlorophenyl)thiazol-2-yl]-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one
CID 5345901
JT010
CID 18524489
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
CID 656248
N-[4-(2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3-thiazol-4-YL)phenyl]acetamide
CID 1092450
4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol
CID 118728575
5-amino-1-[(4-chlorophenyl)methyl]-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2H-pyrrol-3-one
CID 135495242
1-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907680
N-(4-(4-Chlorophenyl)-1,3-thiazol-2-YL)-2-(2-methoxyphenoxy)acetamide
CID 1275131

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 1176029) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is CCC(=O)N(CCc1ccc(OC)c(OC)c1)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is HBEGRWCPYOVMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-4-21(26)25(12-11-15-5-10-19(27-2)20(13-15)28-3)22-24-18(14-29-22)16-6-8-17(23)9-7-16/h5-10,13-14H,4,11-12H2,1-3H3.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 430.96 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 1176029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).