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

C19H25N5O2S — CID 56714120

IUPAC3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1ncns1)c1cccc(CN2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C19H25N5O2S/c25-18(22-19-20-14-21-27-19)16-4-1-3-15(11-16)12-23-6-8-24(9-7-23)13-17-5-2-10-26-17/h1,3-4,11,14,17H,2,5-10,12-13H2,(H,20,21,22,25)
InChIKeyRFTCMOZKNIZCJC-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.09
Rot. Bonds6

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

3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 56714120) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide
PubChem CID56714120
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1ncns1)c1cccc(CN2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C19H25N5O2S/c25-18(22-19-20-14-21-27-19)16-4-1-3-15(11-16)12-23-6-8-24(9-7-23)13-17-5-2-10-26-17/h1,3-4,11,14,17H,2,5-10,12-13H2,(H,20,21,22,25)
InChIKeyRFTCMOZKNIZCJC-UHFFFAOYSA-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-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-N-(thiadiazol-5-yl)benzamide
CID 95205726
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650
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-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 52730864
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985259
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-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95311462
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 99959511

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide (CID 56714120) is 3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide is O=C(Nc1ncns1)c1cccc(CN2CCN(CC3CCCO3)CC2)c1.
What is the InChIKey of 3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is RFTCMOZKNIZCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c25-18(22-19-20-14-21-27-19)16-4-1-3-15(11-16)12-23-6-8-24(9-7-23)13-17-5-2-10-26-17/h1,3-4,11,14,17H,2,5-10,12-13H2,(H,20,21,22,25).
What are the key properties of 3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide?
3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-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-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 56714120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).