5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C9H13F3N2S2 — CID 106431799

IUPAC5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)SCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C9H13F3N2S2/c10-9(11,12)15-4-3-13-8-14-5-7(16-8)6-1-2-6/h6-7H,1-5H2,(H,13,14)
InChIKeySCXIVMXECMAXJE-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.71
Rot. Bonds4

About 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106431799) has the molecular formula C9H13F3N2S2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106431799
Molecular FormulaC9H13F3N2S2
Molecular Weight270.35 g/mol
Exact Mass270.05
IUPAC Name5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)SCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C9H13F3N2S2/c10-9(11,12)15-4-3-13-8-14-5-7(16-8)6-1-2-6/h6-7H,1-5H2,(H,13,14)
InChIKeySCXIVMXECMAXJE-UHFFFAOYSA-N
XLogP2.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296749
5-cyclopropyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63297490
5-cyclopropyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943239
5-cyclopropyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219339
5-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106284857
5-pentan-3-yl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285251
N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285500
5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285501
5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285502
5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106294921
5-(2,2-dimethylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106431781
5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106431784

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106431799) is 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)SCCNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SCXIVMXECMAXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S2/c10-9(11,12)15-4-3-13-8-14-5-7(16-8)6-1-2-6/h6-7H,1-5H2,(H,13,14).
What are the key properties of 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106431799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).