5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine

C10H13F2N5S — CID 120898537

IUPAC5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N)s1)Cc1nccn1C(F)F
InChIInChI=1S/C10H13F2N5S/c1-16(5-7-4-15-10(13)18-7)6-8-14-2-3-17(8)9(11)12/h2-4,9H,5-6H2,1H3,(H2,13,15)
InChIKeyXLWADULNKBBGTM-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.95
Rot. Bonds5

About 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine

5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120898537) has the molecular formula C10H13F2N5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120898537
Molecular FormulaC10H13F2N5S
Molecular Weight273.31 g/mol
Exact Mass273.09
IUPAC Name5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N)s1)Cc1nccn1C(F)F
InChIInChI=1S/C10H13F2N5S/c1-16(5-7-4-15-10(13)18-7)6-8-14-2-3-17(8)9(11)12/h2-4,9H,5-6H2,1H3,(H2,13,15)
InChIKeyXLWADULNKBBGTM-UHFFFAOYSA-N
XLogP1.95
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 120898537) is 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine is CN(Cc1cnc(N)s1)Cc1nccn1C(F)F.
What is the InChIKey of 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is XLWADULNKBBGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5S/c1-16(5-7-4-15-10(13)18-7)6-8-14-2-3-17(8)9(11)12/h2-4,9H,5-6H2,1H3,(H2,13,15).
What are the key properties of 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?
5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 273.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120898537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).