2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C17H15ClN2O3S2 — CID 41340418

IUPAC2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)s3)n2)cc1OC
InChIInChI=1S/C17H15ClN2O3S2/c1-22-13-5-3-10(7-14(13)23-2)12-9-24-17(19-12)20-16(21)8-11-4-6-15(18)25-11/h3-7,9H,8H2,1-2H3,(H,19,20,21)
InChIKeyLHINHEKUKOIENR-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.72
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 41340418) has the molecular formula C17H15ClN2O3S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID41340418
Molecular FormulaC17H15ClN2O3S2
Molecular Weight394.91 g/mol
Exact Mass394.02
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)s3)n2)cc1OC
InChIInChI=1S/C17H15ClN2O3S2/c1-22-13-5-3-10(7-14(13)23-2)12-9-24-17(19-12)20-16(21)8-11-4-6-15(18)25-11/h3-7,9H,8H2,1-2H3,(H,19,20,21)
InChIKeyLHINHEKUKOIENR-UHFFFAOYSA-N
XLogP4.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24505903
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 17354519
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 40880412
2-[1-(2-chlorophenyl)ethylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17422913
2-(cyclopropylmethylamino)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676830
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 41340418) is 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)s3)n2)cc1OC.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LHINHEKUKOIENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S2/c1-22-13-5-3-10(7-14(13)23-2)12-9-24-17(19-12)20-16(21)8-11-4-6-15(18)25-11/h3-7,9H,8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 394.91 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 41340418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).