N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C20H24ClN3O3S — CID 120619297

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CCNCC1.Cl
InChIInChI=1S/C20H23N3O3S.ClH/c1-25-13-20(8-10-21-11-9-20)19(24)22-12-14-6-7-16(26-14)18-23-15-4-2-3-5-17(15)27-18;/h2-7,21H,8-13H2,1H3,(H,22,24);1H
InChIKeyUIPBOVSSRYUDCH-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.61
Rot. Bonds6

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120619297) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120619297
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CCNCC1.Cl
InChIInChI=1S/C20H23N3O3S.ClH/c1-25-13-20(8-10-21-11-9-20)19(24)22-12-14-6-7-16(26-14)18-23-15-4-2-3-5-17(15)27-18;/h2-7,21H,8-13H2,1H3,(H,22,24);1H
InChIKeyUIPBOVSSRYUDCH-UHFFFAOYSA-N
XLogP3.61
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275804
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55485370
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892932
N-(furan-2-ylmethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120647952
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
(2R,3S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920446
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120645205
4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 120622812

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120619297) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CCNCC1.Cl.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is UIPBOVSSRYUDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S.ClH/c1-25-13-20(8-10-21-11-9-20)19(24)22-12-14-6-7-16(26-14)18-23-15-4-2-3-5-17(15)27-18;/h2-7,21H,8-13H2,1H3,(H,22,24);1H.
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120619297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).