N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide

C21H24N4O2S — CID 77226676

IUPACN-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)O)cc(-c3nsnc3C(C)C)c2)nc1
InChIInChI=1S/C21H24N4O2S/c1-12(2)19-20(25-28-24-19)16-7-15(18-6-5-13(3)10-22-18)8-17(9-16)21(27)23-11-14(4)26/h5-10,12,14,26H,11H2,1-4H3,(H,23,27)
InChIKeyOINJGQPZXOOLBD-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.81
Rot. Bonds6

About N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide

N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide (PubChem CID 77226676) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide
PubChem CID77226676
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)O)cc(-c3nsnc3C(C)C)c2)nc1
InChIInChI=1S/C21H24N4O2S/c1-12(2)19-20(25-28-24-19)16-7-15(18-6-5-13(3)10-22-18)8-17(9-16)21(27)23-11-14(4)26/h5-10,12,14,26H,11H2,1-4H3,(H,23,27)
InChIKeyOINJGQPZXOOLBD-UHFFFAOYSA-N
XLogP3.81
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide;3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzoic acid
CID 160908906
3-[5-(1,1-difluoroethyl)tetrazol-1-yl]-N-[(2S)-2-hydroxypropyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 90329535
N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-1,3-benzoxazol-3-yl)benzamide
CID 77158149
N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide
CID 67507806
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
CID 75214758
3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 45136907
3-(2-hydroxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959971
3-(5-methyl-2-pyridinyl)-5-(2,2,2-trifluoro-1-hydroxyethyl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide
CID 59539601
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 138714499
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
3-(2-cyanophenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 45136905

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide (CID 77226676) is N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide is Cc1ccc(-c2cc(C(=O)NCC(C)O)cc(-c3nsnc3C(C)C)c2)nc1.
What is the InChIKey of N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide?
The InChIKey is OINJGQPZXOOLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-12(2)19-20(25-28-24-19)16-7-15(18-6-5-13(3)10-22-18)8-17(9-16)21(27)23-11-14(4)26/h5-10,12,14,26H,11H2,1-4H3,(H,23,27).
What are the key properties of N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide?
N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide has a molecular weight of 396.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide is sourced from PubChem (CID 77226676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).