N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

C6H9F3N2S — CID 63227324

IUPACN-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)CCNC1=NCCS1
InChIInChI=1S/C6H9F3N2S/c7-6(8,9)1-2-10-5-11-3-4-12-5/h1-4H2,(H,10,11)
InChIKeyPIIUSHXITZGUBS-UHFFFAOYSA-N
MW198.21 g/mol
LogP1.63
Rot. Bonds2

About N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63227324) has the molecular formula C6H9F3N2S and a molecular weight of 198.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63227324
Molecular FormulaC6H9F3N2S
Molecular Weight198.21 g/mol
Exact Mass198.04
IUPAC NameN-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)CCNC1=NCCS1
InChIInChI=1S/C6H9F3N2S/c7-6(8,9)1-2-10-5-11-3-4-12-5/h1-4H2,(H,10,11)
InChIKeyPIIUSHXITZGUBS-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 3847167
1,3-Propanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
CID 216950
N-Ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 253132
N'-(4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 216951
2,2,2-trifluoroethyl N-ethyl-N'-methylcarbamimidothioate
CID 134202270
N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068207
N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148974
5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439897
N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63227280
5-methyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63227327
5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035053
CID 71758765
CID 71758765

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63227324) is N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)CCNC1=NCCS1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PIIUSHXITZGUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2S/c7-6(8,9)1-2-10-5-11-3-4-12-5/h1-4H2,(H,10,11).
What are the key properties of N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 198.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63227324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).