3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide

C19H25N5O2S — CID 95205726

IUPAC3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1cccc(CN2CCN(C[C@@H]3CCCO3)CC2)c1
InChIInChI=1S/C19H25N5O2S/c25-19(21-18-12-20-22-27-18)16-4-1-3-15(11-16)13-23-6-8-24(9-7-23)14-17-5-2-10-26-17/h1,3-4,11-12,17H,2,5-10,13-14H2,(H,21,25)/t17-/m0/s1
InChIKeyOUHNUTNLMGQZDV-KRWDZBQOSA-N
MW387.51 g/mol
LogP2.09
Rot. Bonds6

About 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide

3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide (PubChem CID 95205726) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide
PubChem CID95205726
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1cccc(CN2CCN(C[C@@H]3CCCO3)CC2)c1
InChIInChI=1S/C19H25N5O2S/c25-19(21-18-12-20-22-27-18)16-4-1-3-15(11-16)13-23-6-8-24(9-7-23)14-17-5-2-10-26-17/h1,3-4,11-12,17H,2,5-10,13-14H2,(H,21,25)/t17-/m0/s1
InChIKeyOUHNUTNLMGQZDV-KRWDZBQOSA-N
XLogP2.09
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide
CID 56714120
3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide
CID 56711030
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650
N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 95219301
N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide
CID 30634978
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92987604
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46524153
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
3-[[(2R)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99944117
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95311462

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide (CID 95205726) is 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide is O=C(Nc1cnns1)c1cccc(CN2CCN(C[C@@H]3CCCO3)CC2)c1.
What is the InChIKey of 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide?
The InChIKey is OUHNUTNLMGQZDV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O2S/c25-19(21-18-12-20-22-27-18)16-4-1-3-15(11-16)13-23-6-8-24(9-7-23)14-17-5-2-10-26-17/h1,3-4,11-12,17H,2,5-10,13-14H2,(H,21,25)/t17-/m0/s1.
What are the key properties of 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide?
3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 95205726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).