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

C9H10F2N4S — CID 115732189

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESFC(F)n1ccnc1CNCc1cncs1
InChIInChI=1S/C9H10F2N4S/c10-9(11)15-2-1-14-8(15)5-12-3-7-4-13-6-16-7/h1-2,4,6,9,12H,3,5H2
InChIKeyUARLDHGWABJSAD-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.02
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine (PubChem CID 115732189) has the molecular formula C9H10F2N4S and a molecular weight of 244.27 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine
PubChem CID115732189
Molecular FormulaC9H10F2N4S
Molecular Weight244.27 g/mol
Exact Mass244.06
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESFC(F)n1ccnc1CNCc1cncs1
InChIInChI=1S/C9H10F2N4S/c10-9(11)15-2-1-14-8(15)5-12-3-7-4-13-6-16-7/h1-2,4,6,9,12H,3,5H2
InChIKeyUARLDHGWABJSAD-UHFFFAOYSA-N
XLogP2.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}-2-pyrazinamine
CID 39796621
1-[2-[1-(Difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826162
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 75500657
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-1,3-thiazole
CID 86774841
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 137986514
5-[5-(difluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 89878551
2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide
CID 139358422
5-[1-(difluoromethyl)-1H-imidazol-2-yl]-4-methyl-1,3-thiazol-2-amine
CID 16227866
2,2,2-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43755053
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55008729
5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55008927
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55009316

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine (CID 115732189) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine is FC(F)n1ccnc1CNCc1cncs1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine?
The InChIKey is UARLDHGWABJSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4S/c10-9(11)15-2-1-14-8(15)5-12-3-7-4-13-6-16-7/h1-2,4,6,9,12H,3,5H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-thiazol-5-yl)methanamine has a molecular weight of 244.27 g/mol, XLogP of 2.02, 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-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 115732189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).