4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine

C11H12F3N5S — CID 56865350

IUPAC4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(CNc2nccc(CCC(F)(F)F)n2)cs1
InChIInChI=1S/C11H12F3N5S/c12-11(13,14)3-1-7-2-4-16-10(19-7)17-5-8-6-20-9(15)18-8/h2,4,6H,1,3,5H2,(H2,15,18)(H,16,17,19)
InChIKeyZUCJWJZIRMZFKW-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.62
Rot. Bonds5

About 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine

4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 56865350) has the molecular formula C11H12F3N5S and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID56865350
Molecular FormulaC11H12F3N5S
Molecular Weight303.31 g/mol
Exact Mass303.08
IUPAC Name4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(CNc2nccc(CCC(F)(F)F)n2)cs1
InChIInChI=1S/C11H12F3N5S/c12-11(13,14)3-1-7-2-4-16-10(19-7)17-5-8-6-20-9(15)18-8/h2,4,6H,1,3,5H2,(H2,15,18)(H,16,17,19)
InChIKeyZUCJWJZIRMZFKW-UHFFFAOYSA-N
XLogP2.62
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(2-Amino-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 13582275
4-(dimethyl-1,3-thiazol-5-yl)-N-methylpyrimidin-2-amine
CID 6539278
Amino pyrimidine, 6
CID 2744836
4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 746607
4-(1-amino-3-methylbutyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49786650
4-(1-amino-2-phenylethyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49789158
4-[amino(cyclohexyl)methyl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49789622
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864914
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
2-Amino-6-(thiazol-2-yl)-4-(trifluoromethyl)pyrimidine
CID 2823377
4-(1-aminoethyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49795542
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56869678

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine (CID 56865350) is 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine is Nc1nc(CNc2nccc(CCC(F)(F)F)n2)cs1.
What is the InChIKey of 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is ZUCJWJZIRMZFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5S/c12-11(13,14)3-1-7-2-4-16-10(19-7)17-5-8-6-20-9(15)18-8/h2,4,6H,1,3,5H2,(H2,15,18)(H,16,17,19).
What are the key properties of 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine?
4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 303.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56865350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).