N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C19H14F3N3OS — CID 134009889

IUPACN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)13-5-3-11(4-6-13)14-8-15(14)17(26)25-18-24-16(10-27-18)12-2-1-7-23-9-12/h1-7,9-10,14-15H,8H2,(H,24,25,26)
InChIKeyBBIYTVYNKNRDGN-UHFFFAOYSA-N
MW389.40 g/mol
LogP4.97
Rot. Bonds4

About N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 134009889) has the molecular formula C19H14F3N3OS and a molecular weight of 389.40 g/mol. Its IUPAC name is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID134009889
Molecular FormulaC19H14F3N3OS
Molecular Weight389.40 g/mol
Exact Mass389.08
IUPAC NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)13-5-3-11(4-6-13)14-8-15(14)17(26)25-18-24-16(10-27-18)12-2-1-7-23-9-12/h1-7,9-10,14-15H,8H2,(H,24,25,26)
InChIKeyBBIYTVYNKNRDGN-UHFFFAOYSA-N
XLogP4.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 40973916
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
2-(4-tert-butylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 5096630
trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 1220752
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;bis((3S,4R)-4-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide);4-pyridin-3-yl-1,3-thiazol-2-amine
CID 159741113
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 97090370
N-(2-imidazol-1-ylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78899801

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 134009889) is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)C1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is BBIYTVYNKNRDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3OS/c20-19(21,22)13-5-3-11(4-6-13)14-8-15(14)17(26)25-18-24-16(10-27-18)12-2-1-7-23-9-12/h1-7,9-10,14-15H,8H2,(H,24,25,26).
What are the key properties of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134009889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).