N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide

C15H14F2N4O2S — CID 37436778

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C15H14F2N4O2S/c1-9-12(19-13(24-9)10-4-3-7-23-10)14(22)20(2)8-11-18-5-6-21(11)15(16)17/h3-7,15H,8H2,1-2H3
InChIKeyIBMDBMYQJDUCKB-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.58
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 37436778) has the molecular formula C15H14F2N4O2S and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID37436778
Molecular FormulaC15H14F2N4O2S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C15H14F2N4O2S/c1-9-12(19-13(24-9)10-4-3-7-23-10)14(22)20(2)8-11-18-5-6-21(11)15(16)17/h3-7,15H,8H2,1-2H3
InChIKeyIBMDBMYQJDUCKB-UHFFFAOYSA-N
XLogP3.58
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7151137
N-(2-furylmethyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901742
3-(Imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 2998689
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-furamide
CID 3237333
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 16824225
4-(Furan-2-yl)-2-pyrimidin-2-yl-1,3-thiazole
CID 145968036
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine
CID 16676945
2-[2-(Furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 32647659
2-[2-(Furan-2-yl)-1,3-thiazol-4-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 32701909
4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 53575443
2-(furan-2-yl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 53579400
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 53592814

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide (CID 37436778) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)N(C)Cc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is IBMDBMYQJDUCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2S/c1-9-12(19-13(24-9)10-4-3-7-23-10)14(22)20(2)8-11-18-5-6-21(11)15(16)17/h3-7,15H,8H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 37436778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).