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

C10H12F2N4S — CID 61285193

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2nccn2C(F)F)cs1
InChIInChI=1S/C10H12F2N4S/c1-7-15-8(6-17-7)4-13-5-9-14-2-3-16(9)10(11)12/h2-3,6,10,13H,4-5H2,1H3
InChIKeyYMUVWCQNXSTFOG-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.33
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 61285193) 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-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID61285193
Molecular FormulaC10H12F2N4S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2nccn2C(F)F)cs1
InChIInChI=1S/C10H12F2N4S/c1-7-15-8(6-17-7)4-13-5-9-14-2-3-16(9)10(11)12/h2-3,6,10,13H,4-5H2,1H3
InChIKeyYMUVWCQNXSTFOG-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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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 53498805
4-Methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 56778657
N-[(1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71868809
N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71986332
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71990205
4-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 71683819
1-[2-[1-(Difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826162
1-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 72115614
N-methyl-4-({methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}methyl)-1,3-thiazol-2-amine
CID 91829447
2-{[(1-methyl-1H-imidazol-2-yl)methyl][(2-methyl-1,3-thiazol-4-yl)methyl]amino}ethanol
CID 91842004
(2S)-4-(2-methylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 95206783
N'-[(4-ethyl-1,3-thiazol-2-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylurea
CID 121498077

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 61285193) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CNCc2nccn2C(F)F)cs1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is YMUVWCQNXSTFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4S/c1-7-15-8(6-17-7)4-13-5-9-14-2-3-16(9)10(11)12/h2-3,6,10,13H,4-5H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-4-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-4-yl)methanamine is sourced from PubChem (CID 61285193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).