4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

C9H12F3N3S — CID 103361149

IUPAC4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC(F)(F)F)c1C1CC1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)3-4-14-8-6(5-1-2-5)7(13)15-16-8/h5,14H,1-4H2,(H2,13,15)
InChIKeyITBINXKODUWIDQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.97
Rot. Bonds4

About 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361149) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID103361149
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC(F)(F)F)c1C1CC1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)3-4-14-8-6(5-1-2-5)7(13)15-16-8/h5,14H,1-4H2,(H2,13,15)
InChIKeyITBINXKODUWIDQ-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (CID 103361149) is 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCCC(F)(F)F)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ITBINXKODUWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)3-4-14-8-6(5-1-2-5)7(13)15-16-8/h5,14H,1-4H2,(H2,13,15).
What are the key properties of 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 251.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).