4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

C9H8F3N5OS — CID 106384246

IUPAC4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESNc1cc(NCc2csc(=O)[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5OS/c10-9(11,12)7-16-5(13)1-6(17-7)14-2-4-3-19-8(18)15-4/h1,3H,2H2,(H,15,18)(H3,13,14,16,17)
InChIKeyPQKQELPFXOKRHP-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.44
Rot. Bonds3

About 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384246) has the molecular formula C9H8F3N5OS and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384246
Molecular FormulaC9H8F3N5OS
Molecular Weight291.26 g/mol
Exact Mass291.04
IUPAC Name4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESNc1cc(NCc2csc(=O)[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5OS/c10-9(11,12)7-16-5(13)1-6(17-7)14-2-4-3-19-8(18)15-4/h1,3H,2H2,(H,15,18)(H3,13,14,16,17)
InChIKeyPQKQELPFXOKRHP-UHFFFAOYSA-N
XLogP1.44
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384277
4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770518
4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181854
4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384287
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106424494
4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379398
4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383012
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106383516
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384246) is 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is Nc1cc(NCc2csc(=O)[nH]2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PQKQELPFXOKRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5OS/c10-9(11,12)7-16-5(13)1-6(17-7)14-2-4-3-19-8(18)15-4/h1,3H,2H2,(H,15,18)(H3,13,14,16,17).
What are the key properties of 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 291.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).