2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine

C8H12F3N3S — CID 102768085

IUPAC2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESCCCN(CC(F)(F)F)c1ncc(N)s1
InChIInChI=1S/C8H12F3N3S/c1-2-3-14(5-8(9,10)11)7-13-4-6(12)15-7/h4H,2-3,5,12H2,1H3
InChIKeyCMFUWBLSNJESNU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.50
Rot. Bonds4

About 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine

2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768085) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
PubChem CID102768085
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESCCCN(CC(F)(F)F)c1ncc(N)s1
InChIInChI=1S/C8H12F3N3S/c1-2-3-14(5-8(9,10)11)7-13-4-6(12)15-7/h4H,2-3,5,12H2,1H3
InChIKeyCMFUWBLSNJESNU-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Guanidine, N-(2-amino-5-thiazolyl)-N'-cyano-N''-methyl-
CID 177805
4,4,4-Trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-amine
CID 61646898
2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102767283
2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102767737
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768077
2-N-cyclopropyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768083
2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768086
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine
CID 102768376
2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
CID 102768430
2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
CID 102768635
2-[3-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine
CID 102768637
2-[4-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine
CID 102768639

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (CID 102768085) is 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is CCCN(CC(F)(F)F)c1ncc(N)s1.
What is the InChIKey of 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is CMFUWBLSNJESNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-2-3-14(5-8(9,10)11)7-13-4-6(12)15-7/h4H,2-3,5,12H2,1H3.
What are the key properties of 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 239.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).