N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride

C18H25Cl2N3OS2 — CID 119600745

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
SMILESCc1nc(CSc2ccccc2C(=O)NC2CCCC2CN)cs1.Cl.Cl
InChIInChI=1S/C18H23N3OS2.2ClH/c1-12-20-14(10-23-12)11-24-17-8-3-2-6-15(17)18(22)21-16-7-4-5-13(16)9-19;;/h2-3,6,8,10,13,16H,4-5,7,9,11,19H2,1H3,(H,21,22);2*1H
InChIKeyGNPZQTHEEUHYPK-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.44
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride (PubChem CID 119600745) has the molecular formula C18H25Cl2N3OS2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
PubChem CID119600745
Molecular FormulaC18H25Cl2N3OS2
Molecular Weight434.46 g/mol
Exact Mass433.08
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
SMILESCc1nc(CSc2ccccc2C(=O)NC2CCCC2CN)cs1.Cl.Cl
InChIInChI=1S/C18H23N3OS2.2ClH/c1-12-20-14(10-23-12)11-24-17-8-3-2-6-15(17)18(22)21-16-7-4-5-13(16)9-19;;/h2-3,6,8,10,13,16H,4-5,7,9,11,19H2,1H3,(H,21,22);2*1H
InChIKeyGNPZQTHEEUHYPK-UHFFFAOYSA-N
XLogP4.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 119600746
N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119602591
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119600661
N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 47140365
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602483
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)benzamide
CID 51339938
N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 119639859
N-(1-hydroxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 78857346
N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 119665034
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602474
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 119611426

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride (CID 119600745) is N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride is Cc1nc(CSc2ccccc2C(=O)NC2CCCC2CN)cs1.Cl.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The InChIKey is GNPZQTHEEUHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2.2ClH/c1-12-20-14(10-23-12)11-24-17-8-3-2-6-15(17)18(22)21-16-7-4-5-13(16)9-19;;/h2-3,6,8,10,13,16H,4-5,7,9,11,19H2,1H3,(H,21,22);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride has a molecular weight of 434.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride is sourced from PubChem (CID 119600745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).