3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C17H25ClN4OS2 — CID 120911203

IUPAC3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1cnc(-c2ccsc2)s1
InChIInChI=1S/C17H24N4OS2.ClH/c18-6-4-16(22)19-9-14-3-1-2-7-21(14)11-15-10-20-17(24-15)13-5-8-23-12-13;/h5,8,10,12,14H,1-4,6-7,9,11,18H2,(H,19,22);1H
InChIKeyQGRQKPLQTUCRTG-UHFFFAOYSA-N
MW401.00 g/mol
LogP3.11
Rot. Bonds7

About 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120911203) has the molecular formula C17H25ClN4OS2 and a molecular weight of 401.00 g/mol. Its IUPAC name is 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120911203
Molecular FormulaC17H25ClN4OS2
Molecular Weight401.00 g/mol
Exact Mass400.12
IUPAC Name3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1cnc(-c2ccsc2)s1
InChIInChI=1S/C17H24N4OS2.ClH/c18-6-4-16(22)19-9-14-3-1-2-7-21(14)11-15-10-20-17(24-15)13-5-8-23-12-13;/h5,8,10,12,14H,1-4,6-7,9,11,18H2,(H,19,22);1H
InChIKeyQGRQKPLQTUCRTG-UHFFFAOYSA-N
XLogP3.11
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.00
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911386
3-amino-N-[[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911528
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911461
3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911161
3-amino-N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911016
3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578002
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-[(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-[(3-chloro-2-pyridinyl)methyl]piperidin-2-yl]methyl]propanamide
CID 166247213

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120911203) is 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1Cc1cnc(-c2ccsc2)s1.
What is the InChIKey of 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is QGRQKPLQTUCRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2.ClH/c18-6-4-16(22)19-9-14-3-1-2-7-21(14)11-15-10-20-17(24-15)13-5-8-23-12-13;/h5,8,10,12,14H,1-4,6-7,9,11,18H2,(H,19,22);1H.
What are the key properties of 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 401.00 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120911203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).