N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide

C17H17N5OS2 — CID 95219301

IUPACN-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
SMILESO=C(Nc1cnns1)c1cccc(CN2CCC[C@@H]2c2nccs2)c1
InChIInChI=1S/C17H17N5OS2/c23-16(20-15-10-19-21-25-15)13-4-1-3-12(9-13)11-22-7-2-5-14(22)17-18-6-8-24-17/h1,3-4,6,8-10,14H,2,5,7,11H2,(H,20,23)/t14-/m1/s1
InChIKeyDOWGNMDTEBVEIX-CQSZACIVSA-N
MW371.49 g/mol
LogP3.58
Rot. Bonds5

About N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide

N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide (PubChem CID 95219301) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
PubChem CID95219301
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC NameN-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
SMILESO=C(Nc1cnns1)c1cccc(CN2CCC[C@@H]2c2nccs2)c1
InChIInChI=1S/C17H17N5OS2/c23-16(20-15-10-19-21-25-15)13-4-1-3-12(9-13)11-22-7-2-5-14(22)17-18-6-8-24-17/h1,3-4,6,8-10,14H,2,5,7,11H2,(H,20,23)/t14-/m1/s1
InChIKeyDOWGNMDTEBVEIX-CQSZACIVSA-N
XLogP3.58
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide (CID 95219301) is N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide is O=C(Nc1cnns1)c1cccc(CN2CCC[C@@H]2c2nccs2)c1.
What is the InChIKey of N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is DOWGNMDTEBVEIX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N5OS2/c23-16(20-15-10-19-21-25-15)13-4-1-3-12(9-13)11-22-7-2-5-14(22)17-18-6-8-24-17/h1,3-4,6,8-10,14H,2,5,7,11H2,(H,20,23)/t14-/m1/s1.
What are the key properties of N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 371.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 95219301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).