4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

C13H15F3N4S — CID 46943064

IUPAC4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCC(C)C(N)c1csc(Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C13H15F3N4S/c1-7(2)11(17)9-6-21-12(19-9)20-10-4-3-8(5-18-10)13(14,15)16/h3-7,11H,17H2,1-2H3,(H,18,19,20)
InChIKeyITRXDIKPGHWWJZ-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.96
Rot. Bonds4

About 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 46943064) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID46943064
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCC(C)C(N)c1csc(Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C13H15F3N4S/c1-7(2)11(17)9-6-21-12(19-9)20-10-4-3-8(5-18-10)13(14,15)16/h3-7,11H,17H2,1-2H3,(H,18,19,20)
InChIKeyITRXDIKPGHWWJZ-UHFFFAOYSA-N
XLogP3.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 46943064) is 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is CC(C)C(N)c1csc(Nc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is ITRXDIKPGHWWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c1-7(2)11(17)9-6-21-12(19-9)20-10-4-3-8(5-18-10)13(14,15)16/h3-7,11H,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 316.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 46943064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).