N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine

C10H13N3S — CID 143176372

IUPACN'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
SMILESCCN(CN)c1nc2ccccc2s1
InChIInChI=1S/C10H13N3S/c1-2-13(7-11)10-12-8-5-3-4-6-9(8)14-10/h3-6H,2,7,11H2,1H3
InChIKeyDTUBNWHJKWWWFT-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.04
Rot. Bonds3

About N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine

N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine (PubChem CID 143176372) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
PubChem CID143176372
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
SMILESCCN(CN)c1nc2ccccc2s1
InChIInChI=1S/C10H13N3S/c1-2-13(7-11)10-12-8-5-3-4-6-9(8)14-10/h3-6H,2,7,11H2,1H3
InChIKeyDTUBNWHJKWWWFT-UHFFFAOYSA-N
XLogP2.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62004564
methyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62006139
N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494250
N-butyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 141167970
N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine
CID 73186987
N-[(3-aminophenyl)methyl]-N-propyl-1,3-benzothiazol-2-amine
CID 60877209
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
CID 66182631
N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
CID 168757730
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 107489824
N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 37144332
1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine
CID 118066757

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine (CID 143176372) is N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine is CCN(CN)c1nc2ccccc2s1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine?
The InChIKey is DTUBNWHJKWWWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-13(7-11)10-12-8-5-3-4-6-9(8)14-10/h3-6H,2,7,11H2,1H3.
What are the key properties of N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine?
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine has a molecular weight of 207.30 g/mol, XLogP of 2.04, 3 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'-ethylmethanediamine is sourced from PubChem (CID 143176372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).