N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

C19H19F3N4S — CID 177379303

IUPACN-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)Nc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C19H19F3N4S/c1-12(2)26-14-5-3-13(4-6-14)18-25-11-16(27-18)10-24-15-7-8-23-17(9-15)19(20,21)22/h3-9,11-12,26H,10H2,1-2H3,(H,23,24)
InChIKeyPCLIZHCHRYLNHX-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.66
Rot. Bonds6

About N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 177379303) has the molecular formula C19H19F3N4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID177379303
Molecular FormulaC19H19F3N4S
Molecular Weight392.45 g/mol
Exact Mass392.13
IUPAC NameN-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)Nc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C19H19F3N4S/c1-12(2)26-14-5-3-13(4-6-14)18-25-11-16(27-18)10-24-15-7-8-23-17(9-15)19(20,21)22/h3-9,11-12,26H,10H2,1-2H3,(H,23,24)
InChIKeyPCLIZHCHRYLNHX-UHFFFAOYSA-N
XLogP5.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 177379303) is N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is CC(C)Nc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1.
What is the InChIKey of N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is PCLIZHCHRYLNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4S/c1-12(2)26-14-5-3-13(4-6-14)18-25-11-16(27-18)10-24-15-7-8-23-17(9-15)19(20,21)22/h3-9,11-12,26H,10H2,1-2H3,(H,23,24).
What are the key properties of N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 392.45 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(propan-2-ylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 177379303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).