1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine

C10H16F2N2S — CID 84797020

IUPAC1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C10H16F2N2S/c1-6(13-4)5-8-14-7(2)9(15-8)10(3,11)12/h6,13H,5H2,1-4H3
InChIKeyQMLMJAKBBGWSDF-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.71
Rot. Bonds4

About 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine

1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine (PubChem CID 84797020) has the molecular formula C10H16F2N2S and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine
PubChem CID84797020
Molecular FormulaC10H16F2N2S
Molecular Weight234.31 g/mol
Exact Mass234.10
IUPAC Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C10H16F2N2S/c1-6(13-4)5-8-14-7(2)9(15-8)10(3,11)12/h6,13H,5H2,1-4H3
InChIKeyQMLMJAKBBGWSDF-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine (CID 84797020) is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1nc(C)c(C(C)(F)F)s1.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is QMLMJAKBBGWSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2S/c1-6(13-4)5-8-14-7(2)9(15-8)10(3,11)12/h6,13H,5H2,1-4H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 234.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 84797020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).