N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C14H12F3N5S — CID 86645986

IUPACN-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESC[C@H](c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1ncn[nH]1
InChIInChI=1S/C14H12F3N5S/c1-8(12-18-7-19-22-12)9-2-4-10(5-3-9)20-13-21-11(6-23-13)14(15,16)17/h2-8H,1H3,(H,20,21)(H,18,19,22)/t8-/m1/s1
InChIKeyRISBRASDXYBPAW-MRVPVSSYSA-N
MW339.35 g/mol
LogP4.18
Rot. Bonds4

About N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 86645986) has the molecular formula C14H12F3N5S and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID86645986
Molecular FormulaC14H12F3N5S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC NameN-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESC[C@H](c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1ncn[nH]1
InChIInChI=1S/C14H12F3N5S/c1-8(12-18-7-19-22-12)9-2-4-10(5-3-9)20-13-21-11(6-23-13)14(15,16)17/h2-8H,1H3,(H,20,21)(H,18,19,22)/t8-/m1/s1
InChIKeyRISBRASDXYBPAW-MRVPVSSYSA-N
XLogP4.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-Phenyl-4-[(4h-1,2,4-Triazol-3-Ylsulfanyl)methyl]-1,3-Thiazol-2-Amine
CID 2366268
5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-N-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 9905053
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2115901
N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2997993
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2084716
4-(4-fluorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methyleneamino]thiazol-2-amine
CID 86580305
4-(p-tolyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methyleneamino]thiazol-2-amine
CID 86580309
5-[(1R)-1-(4-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-1H-1,2,3,4-tetrazol-1-ide
CID 167993649
5-[1-(4-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-1H-1,2,3,4-tetrazol-1-ide
CID 176516533
4-phenyl-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methyleneamino]thiazol-2-amine
CID 86580304
N-[4-(2H-tetrazol-5-yl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 178313466
2-[(E)-1-[4-methyl-2-[(2E)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 172453455

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 86645986) is N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is C[C@H](c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1ncn[nH]1.
What is the InChIKey of N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is RISBRASDXYBPAW-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12F3N5S/c1-8(12-18-7-19-22-12)9-2-4-10(5-3-9)20-13-21-11(6-23-13)14(15,16)17/h2-8H,1H3,(H,20,21)(H,18,19,22)/t8-/m1/s1.
What are the key properties of N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 339.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86645986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).