N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide

C21H24N4O2S — CID 75214758

IUPACN-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CO)cc(-c3snnc3C(C)C)c2)nc1
InChIInChI=1S/C21H24N4O2S/c1-12(2)19-20(28-25-24-19)16-7-15(18-6-5-13(3)10-22-18)8-17(9-16)21(27)23-14(4)11-26/h5-10,12,14,26H,11H2,1-4H3,(H,23,27)
InChIKeyONAOVNAFHOSAPO-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.81
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide

N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide (PubChem CID 75214758) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
PubChem CID75214758
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CO)cc(-c3snnc3C(C)C)c2)nc1
InChIInChI=1S/C21H24N4O2S/c1-12(2)19-20(28-25-24-19)16-7-15(18-6-5-13(3)10-22-18)8-17(9-16)21(27)23-14(4)11-26/h5-10,12,14,26H,11H2,1-4H3,(H,23,27)
InChIKeyONAOVNAFHOSAPO-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-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide
CID 67511647
3-(4-cyano-3-pyridinyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45138550
3-(4-cyano-3-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 75096326
3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45138255
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76642993
3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 76601235
N-(2-hydroxypropyl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,2,5-thiadiazol-3-yl)benzamide
CID 77226676
N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide
CID 59627775
3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
CID 69004377
3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide
CID 71616534
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-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 75095972

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide (CID 75214758) is N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)CO)cc(-c3snnc3C(C)C)c2)nc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide?
The InChIKey is ONAOVNAFHOSAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-12(2)19-20(28-25-24-19)16-7-15(18-6-5-13(3)10-22-18)8-17(9-16)21(27)23-14(4)11-26/h5-10,12,14,26H,11H2,1-4H3,(H,23,27).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide?
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-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-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide is sourced from PubChem (CID 75214758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).