N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C13H10F3N6S- — CID 176516533

IUPACN-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1nnn[n-]1
InChIInChI=1S/C13H10F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H-,17,18,19,20,21,22)/q-1
InChIKeyPAABTMXSERBYBX-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.20
Rot. Bonds4

About N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 176516533) has the molecular formula C13H10F3N6S- and a molecular weight of 339.33 g/mol. Its IUPAC name is N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID176516533
Molecular FormulaC13H10F3N6S-
Molecular Weight339.33 g/mol
Exact Mass339.06
IUPAC NameN-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1nnn[n-]1
InChIInChI=1S/C13H10F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H-,17,18,19,20,21,22)/q-1
InChIKeyPAABTMXSERBYBX-UHFFFAOYSA-N
XLogP3.20
TPSA77.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

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
(4-Methyl-thiazol-2-yl)-p-tolyl-amine
CID 786458
N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 58624281
N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 89033252
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 868422
4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2117094
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2118762
N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2125861
N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2471690
N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2997993
4'-Methyl-N*2*-p-tolyl-[4,5']bithiazolyl-2,2'-diamine
CID 24746815

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 176516533) is N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1nnn[n-]1.
What is the InChIKey of N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is PAABTMXSERBYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H-,17,18,19,20,21,22)/q-1.
What are the key properties of N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 339.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 176516533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).