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

C16H23N3S — CID 104859057

IUPACN'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCc1nc(CN(CCN)Cc2ccccc2)cs1
InChIInChI=1S/C16H23N3S/c1-2-6-16-18-15(13-20-16)12-19(10-9-17)11-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12,17H2,1H3
InChIKeyRENVHNXAKUSEOZ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.06
Rot. Bonds8

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

N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 104859057) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID104859057
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCc1nc(CN(CCN)Cc2ccccc2)cs1
InChIInChI=1S/C16H23N3S/c1-2-6-16-18-15(13-20-16)12-19(10-9-17)11-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12,17H2,1H3
InChIKeyRENVHNXAKUSEOZ-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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Related Compounds

N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 120844378
N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859101
N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104869995
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
N-benzyl-3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylpropan-1-amine
CID 43320380
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline
CID 66386087
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
CID 62015413

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (CID 104859057) is N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is CCCc1nc(CN(CCN)Cc2ccccc2)cs1.
What is the InChIKey of N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is RENVHNXAKUSEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-6-16-18-15(13-20-16)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'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-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'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104859057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).