5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine

C11H11F3N4S — CID 166719325

IUPAC5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CNCc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)7-1-2-8(17-3-7)4-16-5-9-6-18-10(15)19-9/h1-3,6,16H,4-5H2,(H2,15,18)
InChIKeyREQAIBHJFNZNSL-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.43
Rot. Bonds4

About 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine

5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 166719325) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID166719325
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CNCc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)7-1-2-8(17-3-7)4-16-5-9-6-18-10(15)19-9/h1-3,6,16H,4-5H2,(H2,15,18)
InChIKeyREQAIBHJFNZNSL-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 114908402
N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
CID 114908451
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine
CID 15729200
6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
CID 79794361
5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine
CID 131206979
cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 169111641
N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide
CID 171823264
(3S)-4-amino-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383200
5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898152
5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901925
1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908431

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine (CID 166719325) is 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine is Nc1ncc(CNCc2ccc(C(F)(F)F)cn2)s1.
What is the InChIKey of 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is REQAIBHJFNZNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c12-11(13,14)7-1-2-8(17-3-7)4-16-5-9-6-18-10(15)19-9/h1-3,6,16H,4-5H2,(H2,15,18).
What are the key properties of 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine?
5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 288.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 166719325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).