5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C13H15F3N4S — CID 103360693

IUPAC5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)N(CC(F)(F)F)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C13H15F3N4S/c1-8(2)20(7-13(14,15)16)12-10(11(17)19-21-12)9-4-3-5-18-6-9/h3-6,8H,7H2,1-2H3,(H2,17,19)
InChIKeyDTZRNHSPFWNBAS-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.56
Rot. Bonds4

About 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360693) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360693
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)N(CC(F)(F)F)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C13H15F3N4S/c1-8(2)20(7-13(14,15)16)12-10(11(17)19-21-12)9-4-3-5-18-6-9/h3-6,8H,7H2,1-2H3,(H2,17,19)
InChIKeyDTZRNHSPFWNBAS-UHFFFAOYSA-N
XLogP3.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N-methyl-5-N-(3-methylbutan-2-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360550
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361291
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360759
5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360432
5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361808
5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360705
4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103379725
5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103380451
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361622
5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361301
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370

Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360693) is 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CC(C)N(CC(F)(F)F)c1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is DTZRNHSPFWNBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c1-8(2)20(7-13(14,15)16)12-10(11(17)19-21-12)9-4-3-5-18-6-9/h3-6,8H,7H2,1-2H3,(H2,17,19).
What are the key properties of 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 316.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).