N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

C24H23Cl2F3N2S — CID 56984213

IUPACN-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C24H23Cl2F3N2S/c1-3-11-31(22(15-7-8-15)16-5-4-6-17(12-16)24(27,28)29)23-30-21(14(2)32-23)19-10-9-18(25)13-20(19)26/h4-6,9-10,12-13,15,22H,3,7-8,11H2,1-2H3
InChIKeyATBDCZSQZMUFJU-UHFFFAOYSA-N
MW499.43 g/mol
LogP8.81
Rot. Bonds7

About N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 56984213) has the molecular formula C24H23Cl2F3N2S and a molecular weight of 499.43 g/mol. Its IUPAC name is N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID56984213
Molecular FormulaC24H23Cl2F3N2S
Molecular Weight499.43 g/mol
Exact Mass498.09
IUPAC NameN-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C24H23Cl2F3N2S/c1-3-11-31(22(15-7-8-15)16-5-4-6-17(12-16)24(27,28)29)23-30-21(14(2)32-23)19-10-9-18(25)13-20(19)26/h4-6,9-10,12-13,15,22H,3,7-8,11H2,1-2H3
InChIKeyATBDCZSQZMUFJU-UHFFFAOYSA-N
XLogP8.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.43
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (CID 56984213) is N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is ATBDCZSQZMUFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2F3N2S/c1-3-11-31(22(15-7-8-15)16-5-4-6-17(12-16)24(27,28)29)23-30-21(14(2)32-23)19-10-9-18(25)13-20(19)26/h4-6,9-10,12-13,15,22H,3,7-8,11H2,1-2H3.
What are the key properties of N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 499.43 g/mol, XLogP of 8.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 56984213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).