N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide

C21H20Cl2N2O2S — CID 2194677

IUPACN-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C21H20Cl2N2O2S/c1-4-5-19(26)25(15-8-11-17(22)18(23)12-15)21-24-20(13(2)28-21)14-6-9-16(27-3)10-7-14/h6-12H,4-5H2,1-3H3
InChIKeyIKJDUFVDAZOPDP-UHFFFAOYSA-N
MW435.38 g/mol
LogP6.90
Rot. Bonds6

About N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide

N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide (PubChem CID 2194677) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
PubChem CID2194677
Molecular FormulaC21H20Cl2N2O2S
Molecular Weight435.38 g/mol
Exact Mass434.06
IUPAC NameN-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C21H20Cl2N2O2S/c1-4-5-19(26)25(15-8-11-17(22)18(23)12-15)21-24-20(13(2)28-21)14-6-9-16(27-3)10-7-14/h6-12H,4-5H2,1-3H3
InChIKeyIKJDUFVDAZOPDP-UHFFFAOYSA-N
XLogP6.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoylamino]benzoic acid
CID 1313486
N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 2194632
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide
CID 1303421
N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 990836
methyl 4-[butanoyl-[4-(4-ethoxyphenyl)-5-ethyl-1,3-thiazol-2-yl]amino]benzoate
CID 2194717
N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2194695
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
N-benzyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 2332200
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
ethyl 2-[4-[2-[N-[[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]-3,4-dichloroanilino]-5-methyl-1,3-thiazol-4-yl]phenoxy]acetate
CID 87755249
N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 1313348
3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide
CID 2832379

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide (CID 2194677) is N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide is CCCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(OC)cc2)c(C)s1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide?
The InChIKey is IKJDUFVDAZOPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c1-4-5-19(26)25(15-8-11-17(22)18(23)12-15)21-24-20(13(2)28-21)14-6-9-16(27-3)10-7-14/h6-12H,4-5H2,1-3H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide?
N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide has a molecular weight of 435.38 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 2194677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).