1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C10H12F2N4S — CID 54913604

IUPAC1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2nccn2C(F)F)n1
InChIInChI=1S/C10H12F2N4S/c1-7-6-17-9(15-7)5-13-4-8-14-2-3-16(8)10(11)12/h2-3,6,10,13H,4-5H2,1H3
InChIKeyNACHGMNFJPIMCG-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.33
Rot. Bonds5

About 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 54913604) has the molecular formula C10H12F2N4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID54913604
Molecular FormulaC10H12F2N4S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2nccn2C(F)F)n1
InChIInChI=1S/C10H12F2N4S/c1-7-6-17-9(15-7)5-13-4-8-14-2-3-16(8)10(11)12/h2-3,6,10,13H,4-5H2,1H3
InChIKeyNACHGMNFJPIMCG-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 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 54913604) is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CNCc2nccn2C(F)F)n1.
What is the InChIKey of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is NACHGMNFJPIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4S/c1-7-6-17-9(15-7)5-13-4-8-14-2-3-16(8)10(11)12/h2-3,6,10,13H,4-5H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]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 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 54913604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).