N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine

C14H21N3S — CID 103721021

IUPACN-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1nc2ccccc2s1
InChIInChI=1S/C14H21N3S/c1-3-10-17(4-2)11-9-15-14-16-12-7-5-6-8-13(12)18-14/h5-8H,3-4,9-11H2,1-2H3,(H,15,16)
InChIKeyYKJJZCRWYHJQIB-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.44
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine

N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 103721021) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID103721021
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1nc2ccccc2s1
InChIInChI=1S/C14H21N3S/c1-3-10-17(4-2)11-9-15-14-16-12-7-5-6-8-13(12)18-14/h5-8H,3-4,9-11H2,1-2H3,(H,15,16)
InChIKeyYKJJZCRWYHJQIB-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 47446323
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid
CID 87530986
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
3-(1,3-benzothiazol-2-ylamino)propane-1-thiol
CID 101455251
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N',N'-dipropylpentanediamide
CID 56546359
2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride
CID 14749896
1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
CID 115622903
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(methylamino)acetamide
CID 120703645
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine (CID 103721021) is N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is YKJJZCRWYHJQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-10-17(4-2)11-9-15-14-16-12-7-5-6-8-13(12)18-14/h5-8H,3-4,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 263.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103721021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).