4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine

C23H27ClN2OS2 — CID 67660692

IUPAC4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(Cc1ccccc1CSC)c1nc(-c2ccc(Cl)cc2OC)c(C)s1
InChIInChI=1S/C23H27ClN2OS2/c1-5-12-26(14-17-8-6-7-9-18(17)15-28-4)23-25-22(16(2)29-23)20-11-10-19(24)13-21(20)27-3/h6-11,13H,5,12,14-15H2,1-4H3
InChIKeyXSVSJMZJXMBQFH-UHFFFAOYSA-N
MW447.07 g/mol
LogP7.06
Rot. Bonds9

About 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine

4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 67660692) has the molecular formula C23H27ClN2OS2 and a molecular weight of 447.07 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID67660692
Molecular FormulaC23H27ClN2OS2
Molecular Weight447.07 g/mol
Exact Mass446.13
IUPAC Name4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(Cc1ccccc1CSC)c1nc(-c2ccc(Cl)cc2OC)c(C)s1
InChIInChI=1S/C23H27ClN2OS2/c1-5-12-26(14-17-8-6-7-9-18(17)15-28-4)23-25-22(16(2)29-23)20-11-10-19(24)13-21(20)27-3/h6-11,13H,5,12,14-15H2,1-4H3
InChIKeyXSVSJMZJXMBQFH-UHFFFAOYSA-N
XLogP7.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.07
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967784
[2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-2-phenylethyl] acetate
CID 15291627
4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967770
4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374892
N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374879
N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374883
5-(4-chloro-2-methoxyphenyl)-1-methyl-N-(1-phenylbutyl)-N-propyl-1,2,4-triazol-3-amine
CID 11212115
2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine
CID 134315658
4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine
CID 57149312
4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 157374946
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
CID 122487988
[4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite
CID 174367590

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine (CID 67660692) is 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine is CCCN(Cc1ccccc1CSC)c1nc(-c2ccc(Cl)cc2OC)c(C)s1.
What is the InChIKey of 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is XSVSJMZJXMBQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2OS2/c1-5-12-26(14-17-8-6-7-9-18(17)15-28-4)23-25-22(16(2)29-23)20-11-10-19(24)13-21(20)27-3/h6-11,13H,5,12,14-15H2,1-4H3.
What are the key properties of 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine?
4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 447.07 g/mol, XLogP of 7.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 67660692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).