N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine

C10H12F2N4S — CID 61280049

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncc(CNCc2nccn2C(F)F)s1
InChIInChI=1S/C10H12F2N4S/c1-7-15-5-8(17-7)4-13-6-9-14-2-3-16(9)10(11)12/h2-3,5,10,13H,4,6H2,1H3
InChIKeyHSRZVHPHQDZEIO-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.33
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 61280049) has the molecular formula C10H12F2N4S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID61280049
Molecular FormulaC10H12F2N4S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncc(CNCc2nccn2C(F)F)s1
InChIInChI=1S/C10H12F2N4S/c1-7-15-5-8(17-7)4-13-6-9-14-2-3-16(9)10(11)12/h2-3,5,10,13H,4,6H2,1H3
InChIKeyHSRZVHPHQDZEIO-UHFFFAOYSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (CID 61280049) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncc(CNCc2nccn2C(F)F)s1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is HSRZVHPHQDZEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4S/c1-7-15-5-8(17-7)4-13-6-9-14-2-3-16(9)10(11)12/h2-3,5,10,13H,4,6H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 258.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 61280049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).