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

C16H23N3OS — CID 120912923

IUPACN'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCOCc1cnc(CN(CCN)CCc2ccccc2)s1
InChIInChI=1S/C16H23N3OS/c1-20-13-15-11-18-16(21-15)12-19(10-8-17)9-7-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13,17H2,1H3
InChIKeySWXLSVRVOSDADK-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.29
Rot. Bonds9

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

N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120912923) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120912923
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCOCc1cnc(CN(CCN)CCc2ccccc2)s1
InChIInChI=1S/C16H23N3OS/c1-20-13-15-11-18-16(21-15)12-19(10-8-17)9-7-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13,17H2,1H3
InChIKeySWXLSVRVOSDADK-UHFFFAOYSA-N
XLogP2.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine with MolForge

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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'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912735
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
N'-benzyl-N'-[(5-chloro-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 104973899
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912913
N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844372
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912912
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
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'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912540
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120912923) is N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is COCc1cnc(CN(CCN)CCc2ccccc2)s1.
What is the InChIKey of N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is SWXLSVRVOSDADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-20-13-15-11-18-16(21-15)12-19(10-8-17)9-7-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13,17H2,1H3.
What are the key properties of N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 305.45 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120912923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).