5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine

C9H15F2N3S — CID 120899533

IUPAC5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(Cc1cnc(N)s1)CC(F)F
InChIInChI=1S/C9H15F2N3S/c1-2-3-14(6-8(10)11)5-7-4-13-9(12)15-7/h4,8H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyMQYISKDFQWZJCB-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.20
Rot. Bonds6

About 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine

5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120899533) has the molecular formula C9H15F2N3S and a molecular weight of 235.30 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID120899533
Molecular FormulaC9H15F2N3S
Molecular Weight235.30 g/mol
Exact Mass235.10
IUPAC Name5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(Cc1cnc(N)s1)CC(F)F
InChIInChI=1S/C9H15F2N3S/c1-2-3-14(6-8(10)11)5-7-4-13-9(12)15-7/h4,8H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyMQYISKDFQWZJCB-UHFFFAOYSA-N
XLogP2.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine (CID 120899533) is 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine is CCCN(Cc1cnc(N)s1)CC(F)F.
What is the InChIKey of 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is MQYISKDFQWZJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3S/c1-2-3-14(6-8(10)11)5-7-4-13-9(12)15-7/h4,8H,2-3,5-6H2,1H3,(H2,12,13).
What are the key properties of 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 235.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoroethyl(propyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120899533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).