N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine

C14H19N3S — CID 104631221

IUPACN'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)Cc1nc2ccccc2s1
InChIInChI=1S/C14H19N3S/c1-17(9-8-15-11-6-7-11)10-14-16-12-4-2-3-5-13(12)18-14/h2-5,11,15H,6-10H2,1H3
InChIKeyOYPUEVCQXKONHO-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.48
Rot. Bonds6

About N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine

N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine (PubChem CID 104631221) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
PubChem CID104631221
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)Cc1nc2ccccc2s1
InChIInChI=1S/C14H19N3S/c1-17(9-8-15-11-6-7-11)10-14-16-12-4-2-3-5-13(12)18-14/h2-5,11,15H,6-10H2,1H3
InChIKeyOYPUEVCQXKONHO-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 81492934
methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoate
CID 60699740
(2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-cyclopropyl-2-phenylacetamide
CID 8803422
N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
CID 43394930
4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butan-2-ol
CID 113246457
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
CID 104631791
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 43512900
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine (CID 104631221) is N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine is CN(CCNC1CC1)Cc1nc2ccccc2s1.
What is the InChIKey of N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine?
The InChIKey is OYPUEVCQXKONHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17(9-8-15-11-6-7-11)10-14-16-12-4-2-3-5-13(12)18-14/h2-5,11,15H,6-10H2,1H3.
What are the key properties of N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine?
N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine has a molecular weight of 261.39 g/mol, XLogP of 2.48, 6 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-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104631221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).