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

C19H18F3N3OS — CID 146293652

IUPACN-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)Oc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C19H18F3N3OS/c1-12(2)26-15-5-3-13(4-6-15)18-25-11-16(27-18)10-24-14-7-8-23-17(9-14)19(20,21)22/h3-9,11-12H,10H2,1-2H3,(H,23,24)
InChIKeySXGMNMMPUWUUNY-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.62
Rot. Bonds6

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

N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 146293652) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID146293652
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC NameN-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)Oc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C19H18F3N3OS/c1-12(2)26-15-5-3-13(4-6-15)18-25-11-16(27-18)10-24-14-7-8-23-17(9-14)19(20,21)22/h3-9,11-12H,10H2,1-2H3,(H,23,24)
InChIKeySXGMNMMPUWUUNY-UHFFFAOYSA-N
XLogP5.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine with MolForge

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Related Compounds

CID 9947512
CID 9947512
CID 10132882
CID 10132882
CID 10136220
CID 10136220
CID 10201549
CID 10201549
CID 10273469
CID 10273469
CID 10291064
CID 10291064
CID 44444378
CID 44444378
CID 57448310
CID 57448310
CID 146293558
CID 146293558
CID 49860354
CID 49860354
CID 118709519
CID 118709519
CID 118709520
CID 118709520

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 146293652) is N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is CC(C)Oc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1.
What is the InChIKey of N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is SXGMNMMPUWUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-12(2)26-15-5-3-13(4-6-15)18-25-11-16(27-18)10-24-14-7-8-23-17(9-14)19(20,21)22/h3-9,11-12H,10H2,1-2H3,(H,23,24).
What are the key properties of N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 393.43 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 146293652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).