N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine

C15H21N3S — CID 107368586

IUPACN'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCc1csc(N(CCCN)Cc2ccccc2)n1
InChIInChI=1S/C15H21N3S/c1-2-14-12-19-15(17-14)18(10-6-9-16)11-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11,16H2,1H3
InChIKeyBTWKQXKGJXACFU-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.06
Rot. Bonds7

About N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine

N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 107368586) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID107368586
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCc1csc(N(CCCN)Cc2ccccc2)n1
InChIInChI=1S/C15H21N3S/c1-2-14-12-19-15(17-14)18(10-6-9-16)11-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11,16H2,1H3
InChIKeyBTWKQXKGJXACFU-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine
CID 62963543
N-(3-aminopropyl)-N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120648388
N-benzyl-N-(2-bromoethyl)-4-methyl-1,3-thiazol-2-amine
CID 80674189
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
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 65270798
N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
CID 107368407
1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64542419
N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 107368222
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 120844378
N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
CID 107366992

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine (CID 107368586) is N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine is CCc1csc(N(CCCN)Cc2ccccc2)n1.
What is the InChIKey of N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is BTWKQXKGJXACFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-14-12-19-15(17-14)18(10-6-9-16)11-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11,16H2,1H3.
What are the key properties of N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine?
N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 275.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 107368586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).