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

C18H21N3S2 — CID 120912532

IUPACN'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1cnc(-c2cccs2)s1
InChIInChI=1S/C18H21N3S2/c19-9-11-21(10-8-15-5-2-1-3-6-15)14-16-13-20-18(23-16)17-7-4-12-22-17/h1-7,12-13H,8-11,14,19H2
InChIKeyFHBURDRWDZLFSN-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.88
Rot. Bonds8

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

N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 120912532) has the molecular formula C18H21N3S2 and a molecular weight of 343.52 g/mol. Its IUPAC name is N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID120912532
Molecular FormulaC18H21N3S2
Molecular Weight343.52 g/mol
Exact Mass343.12
IUPAC NameN'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1cnc(-c2cccs2)s1
InChIInChI=1S/C18H21N3S2/c19-9-11-21(10-8-15-5-2-1-3-6-15)14-16-13-20-18(23-16)17-7-4-12-22-17/h1-7,12-13H,8-11,14,19H2
InChIKeyFHBURDRWDZLFSN-UHFFFAOYSA-N
XLogP3.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912735
N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912923
N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912634
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912913
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912912
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899245
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 120912617
N'-(2-phenylethyl)-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 120871706

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (CID 120912532) is N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is NCCN(CCc1ccccc1)Cc1cnc(-c2cccs2)s1.
What is the InChIKey of N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is FHBURDRWDZLFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S2/c19-9-11-21(10-8-15-5-2-1-3-6-15)14-16-13-20-18(23-16)17-7-4-12-22-17/h1-7,12-13H,8-11,14,19H2.
What are the key properties of N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 343.52 g/mol, XLogP of 3.88, 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-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 120912532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).