3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C12H22ClN5OS — CID 120911161

IUPAC3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1csnn1
InChIInChI=1S/C12H21N5OS.ClH/c13-5-4-12(18)14-7-11-3-1-2-6-17(11)8-10-9-19-16-15-10;/h9,11H,1-8,13H2,(H,14,18);1H
InChIKeyPNZHBPRXQDMRCF-UHFFFAOYSA-N
MW319.86 g/mol
LogP0.78
Rot. Bonds6

About 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120911161) has the molecular formula C12H22ClN5OS and a molecular weight of 319.86 g/mol. Its IUPAC name is 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120911161
Molecular FormulaC12H22ClN5OS
Molecular Weight319.86 g/mol
Exact Mass319.12
IUPAC Name3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1csnn1
InChIInChI=1S/C12H21N5OS.ClH/c13-5-4-12(18)14-7-11-3-1-2-6-17(11)8-10-9-19-16-15-10;/h9,11H,1-8,13H2,(H,14,18);1H
InChIKeyPNZHBPRXQDMRCF-UHFFFAOYSA-N
XLogP0.78
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581407
3-amino-N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911461
3-amino-N-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581394
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120967146
3-amino-N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911113
3-amino-N-[[1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911172
3-amino-N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911016
3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911386
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348
3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120911161) is 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1Cc1csnn1.
What is the InChIKey of 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is PNZHBPRXQDMRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS.ClH/c13-5-4-12(18)14-7-11-3-1-2-6-17(11)8-10-9-19-16-15-10;/h9,11H,1-8,13H2,(H,14,18);1H.
What are the key properties of 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120911161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).