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

C42H41Cl4F3N4O2S2 — CID 158140727

IUPAC4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)c1cc(C(F)(F)F)ccc1Cl.CCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)c1cc(C)ccc1Cl
InChIInChI=1S/C21H19Cl2F3N2OS.C21H22Cl2N2OS/c1-4-9-28(18-10-13(21(24,25)26)5-8-16(18)22)20-27-19(12(2)30-20)15-7-6-14(29-3)11-17(15)23;1-5-10-25(19-11-13(2)6-9-17(19)22)21-24-20(14(3)27-21)16-8-7-15(26-4)12-18(16)23/h5-8,10-11H,4,9H2,1-3H3;6-9,11-12H,5,10H2,1-4H3
InChIKeyFTXDEDRVQODNKJ-UHFFFAOYSA-N
MW896.76 g/mol
LogP15.29
Rot. Bonds12

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

4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 158140727) has the molecular formula C42H41Cl4F3N4O2S2 and a molecular weight of 896.76 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID158140727
Molecular FormulaC42H41Cl4F3N4O2S2
Molecular Weight896.76 g/mol
Exact Mass894.14
IUPAC Name4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)c1cc(C(F)(F)F)ccc1Cl.CCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)c1cc(C)ccc1Cl
InChIInChI=1S/C21H19Cl2F3N2OS.C21H22Cl2N2OS/c1-4-9-28(18-10-13(21(24,25)26)5-8-16(18)22)20-27-19(12(2)30-20)15-7-6-14(29-3)11-17(15)23;1-5-10-25(19-11-13(2)6-9-17(19)22)21-24-20(14(3)27-21)16-8-7-15(26-4)12-18(16)23/h5-8,10-11H,4,9H2,1-3H3;6-9,11-12H,5,10H2,1-4H3
InChIKeyFTXDEDRVQODNKJ-UHFFFAOYSA-N
XLogP15.29
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.76
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine (CID 158140727) is 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)c1cc(C(F)(F)F)ccc1Cl.CCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)c1cc(C)ccc1Cl.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is FTXDEDRVQODNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2F3N2OS.C21H22Cl2N2OS/c1-4-9-28(18-10-13(21(24,25)26)5-8-16(18)22)20-27-19(12(2)30-20)15-7-6-14(29-3)11-17(15)23;1-5-10-25(19-11-13(2)6-9-17(19)22)21-24-20(14(3)27-21)16-8-7-15(26-4)12-18(16)23/h5-8,10-11H,4,9H2,1-3H3;6-9,11-12H,5,10H2,1-4H3.
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 896.76 g/mol, XLogP of 15.29, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-N-(2-chloro-5-methylphenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine;4-(2-chloro-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 158140727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).