N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide

C14H11F2N5OS — CID 86844826

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C14H11F2N5OS/c15-11(16)13-19-20-14(23-13)18-12(22)10-3-1-9(2-4-10)7-21-6-5-17-8-21/h1-6,8,11H,7H2,(H,18,20,22)
InChIKeyBGOGSPCARHGIGP-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.97
Rot. Bonds5

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 86844826) has the molecular formula C14H11F2N5OS and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID86844826
Molecular FormulaC14H11F2N5OS
Molecular Weight335.34 g/mol
Exact Mass335.07
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C14H11F2N5OS/c15-11(16)13-19-20-14(23-13)18-12(22)10-3-1-9(2-4-10)7-21-6-5-17-8-21/h1-6,8,11H,7H2,(H,18,20,22)
InChIKeyBGOGSPCARHGIGP-UHFFFAOYSA-N
XLogP2.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide (CID 86844826) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide is O=C(Nc1nnc(C(F)F)s1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is BGOGSPCARHGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5OS/c15-11(16)13-19-20-14(23-13)18-12(22)10-3-1-9(2-4-10)7-21-6-5-17-8-21/h1-6,8,11H,7H2,(H,18,20,22).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 335.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 86844826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).