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

C10H18F2N2S — CID 107154630

IUPACN-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCC(F)F)S1
InChIInChI=1S/C10H18F2N2S/c1-10(2,3)4-7-5-13-9(15-7)14-6-8(11)12/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyZAVHHOPBRKELFI-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.75
Rot. Bonds3

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

N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154630) has the molecular formula C10H18F2N2S and a molecular weight of 236.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154630
Molecular FormulaC10H18F2N2S
Molecular Weight236.33 g/mol
Exact Mass236.12
IUPAC NameN-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCC(F)F)S1
InChIInChI=1S/C10H18F2N2S/c1-10(2,3)4-7-5-13-9(15-7)14-6-8(11)12/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyZAVHHOPBRKELFI-UHFFFAOYSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154630) is N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NCC(F)F)S1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZAVHHOPBRKELFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2S/c1-10(2,3)4-7-5-13-9(15-7)14-6-8(11)12/h7-8H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 236.33 g/mol, XLogP of 2.75, 3 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-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).