N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride

C18H22ClN3S2 — CID 120912735

IUPACN'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1cnc(-c2ccsc2)s1
InChIInChI=1S/C18H21N3S2.ClH/c19-8-10-21(9-6-15-4-2-1-3-5-15)13-17-12-20-18(23-17)16-7-11-22-14-16;/h1-5,7,11-12,14H,6,8-10,13,19H2;1H
InChIKeyZYVLESHWRFDXDC-UHFFFAOYSA-N
MW379.98 g/mol
LogP4.30
Rot. Bonds8

About N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride

N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride (PubChem CID 120912735) has the molecular formula C18H22ClN3S2 and a molecular weight of 379.98 g/mol. Its IUPAC name is N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
PubChem CID120912735
Molecular FormulaC18H22ClN3S2
Molecular Weight379.98 g/mol
Exact Mass379.09
IUPAC NameN'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1cnc(-c2ccsc2)s1
InChIInChI=1S/C18H21N3S2.ClH/c19-8-10-21(9-6-15-4-2-1-3-5-15)13-17-12-20-18(23-17)16-7-11-22-14-16;/h1-5,7,11-12,14H,6,8-10,13,19H2;1H
InChIKeyZYVLESHWRFDXDC-UHFFFAOYSA-N
XLogP4.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.98
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 120912532
N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
CID 120871549
N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912923
5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899245
N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 120912617
N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120872561
N'-(2-phenylethyl)-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 120871706
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912634
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144
N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62923287
N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871998

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride (CID 120912735) is N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride is Cl.NCCN(CCc1ccccc1)Cc1cnc(-c2ccsc2)s1.
What is the InChIKey of N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is ZYVLESHWRFDXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S2.ClH/c19-8-10-21(9-6-15-4-2-1-3-5-15)13-17-12-20-18(23-17)16-7-11-22-14-16;/h1-5,7,11-12,14H,6,8-10,13,19H2;1H.
What are the key properties of N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride?
N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 379.98 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120912735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).