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

C10H14F3N3S — CID 103364951

IUPAC4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCCC(F)(F)F)c1C1CC1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)4-1-5-15-9-7(6-2-3-6)8(14)16-17-9/h6,15H,1-5H2,(H2,14,16)
InChIKeyBDFHKUWTQSMIPR-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.36
Rot. Bonds5

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

4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364951) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
PubChem CID103364951
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCCC(F)(F)F)c1C1CC1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)4-1-5-15-9-7(6-2-3-6)8(14)16-17-9/h6,15H,1-5H2,(H2,14,16)
InChIKeyBDFHKUWTQSMIPR-UHFFFAOYSA-N
XLogP3.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine (CID 103364951) is 4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCCCC(F)(F)F)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BDFHKUWTQSMIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)4-1-5-15-9-7(6-2-3-6)8(14)16-17-9/h6,15H,1-5H2,(H2,14,16).
What are the key properties of 4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 265.30 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).