2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

C23H27F6N3O2S — CID 10346695

IUPAC2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCCN(CC1CC1)CC(O)c1nc(C(F)(F)F)c(C(=O)NC(C)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C23H27F6N3O2S/c1-3-9-32(11-14-7-8-14)12-17(33)21-31-19(23(27,28)29)18(35-21)20(34)30-13(2)15-5-4-6-16(10-15)22(24,25)26/h4-6,10,13-14,17,33H,3,7-9,11-12H2,1-2H3,(H,30,34)
InChIKeyUENKJONGCSWBNM-UHFFFAOYSA-N
MW523.54 g/mol
LogP5.83
Rot. Bonds10

About 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 10346695) has the molecular formula C23H27F6N3O2S and a molecular weight of 523.54 g/mol. Its IUPAC name is 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID10346695
Molecular FormulaC23H27F6N3O2S
Molecular Weight523.54 g/mol
Exact Mass523.17
IUPAC Name2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCCN(CC1CC1)CC(O)c1nc(C(F)(F)F)c(C(=O)NC(C)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C23H27F6N3O2S/c1-3-9-32(11-14-7-8-14)12-17(33)21-31-19(23(27,28)29)18(35-21)20(34)30-13(2)15-5-4-6-16(10-15)22(24,25)26/h4-6,10,13-14,17,33H,3,7-9,11-12H2,1-2H3,(H,30,34)
InChIKeyUENKJONGCSWBNM-UHFFFAOYSA-N
XLogP5.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.54
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide 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 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (CID 10346695) is 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is CCCN(CC1CC1)CC(O)c1nc(C(F)(F)F)c(C(=O)NC(C)c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UENKJONGCSWBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F6N3O2S/c1-3-9-32(11-14-7-8-14)12-17(33)21-31-19(23(27,28)29)18(35-21)20(34)30-13(2)15-5-4-6-16(10-15)22(24,25)26/h4-6,10,13-14,17,33H,3,7-9,11-12H2,1-2H3,(H,30,34).
What are the key properties of 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 523.54 g/mol, XLogP of 5.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 10346695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).