N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C10H18F2N2S — CID 106285500

IUPACN-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC(F)F)S1
InChIInChI=1S/C10H18F2N2S/c1-3-7(4-2)8-5-13-10(15-8)14-6-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyRSTBVZBDPWSQPJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.75
Rot. Bonds5

About N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285500) has the molecular formula C10H18F2N2S and a molecular weight of 236.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285500
Molecular FormulaC10H18F2N2S
Molecular Weight236.33 g/mol
Exact Mass236.12
IUPAC NameN-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC(F)F)S1
InChIInChI=1S/C10H18F2N2S/c1-3-7(4-2)8-5-13-10(15-8)14-6-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyRSTBVZBDPWSQPJ-UHFFFAOYSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943224
5-propyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943236
5-cyclopropyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943239
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
4-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943249
5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249861
5,5-diethyl-N-(3,3,3-trifluoropropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250844
N-(2,2-difluoroethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106251297
5,5-diethyl-N-(4,4,4-trifluorobutyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251300

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285500) is N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCC(F)F)S1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RSTBVZBDPWSQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2S/c1-3-7(4-2)8-5-13-10(15-8)14-6-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 236.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).