N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine

C16H23N3S — CID 120844378

IUPACN'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCCc1csc(CN(CCN)Cc2ccccc2)n1
InChIInChI=1S/C16H23N3S/c1-2-6-15-13-20-16(18-15)12-19(10-9-17)11-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12,17H2,1H3
InChIKeyGECXOJZSPYXQRN-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.06
Rot. Bonds8

About N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine

N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 120844378) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID120844378
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCCc1csc(CN(CCN)Cc2ccccc2)n1
InChIInChI=1S/C16H23N3S/c1-2-6-15-13-20-16(18-15)12-19(10-9-17)11-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12,17H2,1H3
InChIKeyGECXOJZSPYXQRN-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (CID 120844378) is N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is CCCc1csc(CN(CCN)Cc2ccccc2)n1.
What is the InChIKey of N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is GECXOJZSPYXQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-6-15-13-20-16(18-15)12-19(10-9-17)11-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12,17H2,1H3.
What are the key properties of N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 289.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 120844378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).