N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride

C17H23ClN4OS — CID 120898400

IUPACN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C17H22N4OS.ClH/c1-12-4-2-3-5-15(12)16(22)20-13-6-8-21(9-7-13)11-14-10-19-17(18)23-14;/h2-5,10,13H,6-9,11H2,1H3,(H2,18,19)(H,20,22);1H
InChIKeyWMCUVYDJAFBBPB-UHFFFAOYSA-N
MW366.92 g/mol
LogP2.85
Rot. Bonds4

About N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride (PubChem CID 120898400) has the molecular formula C17H23ClN4OS and a molecular weight of 366.92 g/mol. Its IUPAC name is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
PubChem CID120898400
Molecular FormulaC17H23ClN4OS
Molecular Weight366.92 g/mol
Exact Mass366.13
IUPAC NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C17H22N4OS.ClH/c1-12-4-2-3-5-15(12)16(22)20-13-6-8-21(9-7-13)11-14-10-19-17(18)23-14;/h2-5,10,13H,6-9,11H2,1H3,(H2,18,19)(H,20,22);1H
InChIKeyWMCUVYDJAFBBPB-UHFFFAOYSA-N
XLogP2.85
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.92
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 120899451
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 175454276
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721489

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride (CID 120898400) is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride is Cc1ccccc1C(=O)NC1CCN(Cc2cnc(N)s2)CC1.Cl.
What is the InChIKey of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride?
The InChIKey is WMCUVYDJAFBBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS.ClH/c1-12-4-2-3-5-15(12)16(22)20-13-6-8-21(9-7-13)11-14-10-19-17(18)23-14;/h2-5,10,13H,6-9,11H2,1H3,(H2,18,19)(H,20,22);1H.
What are the key properties of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride?
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride has a molecular weight of 366.92 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120898400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).