N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide

C22H18N4O2S — CID 46975630

IUPACN-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)cn1
InChIInChI=1S/C22H18N4O2S/c1-28-18-13-12-17(14-23-18)20(27)24-22-26-25-21(29-22)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,19H,1H3,(H,24,26,27)
InChIKeyCXABFCKOEKTLIG-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.37
Rot. Bonds6

About N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide

N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide (PubChem CID 46975630) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide
PubChem CID46975630
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)cn1
InChIInChI=1S/C22H18N4O2S/c1-28-18-13-12-17(14-23-18)20(27)24-22-26-25-21(29-22)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,19H,1H3,(H,24,26,27)
InChIKeyCXABFCKOEKTLIG-UHFFFAOYSA-N
XLogP4.37
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
CID 71946256
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
1-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2895646
(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93310081
N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 134056656
3,4,5-trimethoxy-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1401373
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
4-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4680904
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
4-chloro-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1327524

Frequently Asked Questions

What is the IUPAC name of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide (CID 46975630) is N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)cn1.
What is the InChIKey of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide?
The InChIKey is CXABFCKOEKTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-28-18-13-12-17(14-23-18)20(27)24-22-26-25-21(29-22)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,19H,1H3,(H,24,26,27).
What are the key properties of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide?
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 46975630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).