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

C9H16F2N2S — CID 107154631

IUPACN-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC(F)F)S1
InChIInChI=1S/C9H16F2N2S/c1-6(2)3-7-4-12-9(14-7)13-5-8(10)11/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyIBZJZJGXBZXQLC-UHFFFAOYSA-N
MW222.30 g/mol
LogP2.36
Rot. Bonds4

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

N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154631) has the molecular formula C9H16F2N2S and a molecular weight of 222.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154631
Molecular FormulaC9H16F2N2S
Molecular Weight222.30 g/mol
Exact Mass222.10
IUPAC NameN-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC(F)F)S1
InChIInChI=1S/C9H16F2N2S/c1-6(2)3-7-4-12-9(14-7)13-5-8(10)11/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyIBZJZJGXBZXQLC-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 52.36
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-(2-methylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219342
N-(2,2-difluoroethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106251297
5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251303
5-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106284857

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154631) is N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NCC(F)F)S1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IBZJZJGXBZXQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2S/c1-6(2)3-7-4-12-9(14-7)13-5-8(10)11/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 222.30 g/mol, XLogP of 2.36, 4 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-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).