1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C16H17N3S — CID 106759597

IUPAC1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NCc1nc2ccccc2s1
InChIInChI=1S/C16H17N3S/c1-19(2)14-9-5-3-7-12(14)17-11-16-18-13-8-4-6-10-15(13)20-16/h3-10,17H,11H2,1-2H3
InChIKeyOBXMLHKNSGSOPP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.97
Rot. Bonds4

About 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106759597) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106759597
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NCc1nc2ccccc2s1
InChIInChI=1S/C16H17N3S/c1-19(2)14-9-5-3-7-12(14)17-11-16-18-13-8-4-6-10-15(13)20-16/h3-10,17H,11H2,1-2H3
InChIKeyOBXMLHKNSGSOPP-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-iodoaniline
CID 60678883
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CID 82757804
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-4-fluoroaniline
CID 60671832
N-(1,3-benzothiazol-2-ylmethyl)-1,5-dimethylpyrazol-3-amine
CID 114253553
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dichloroaniline
CID 60671399
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-3,5-dimethylaniline
CID 107573635
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxyaniline
CID 60672849
N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide
CID 60681450
4-(1,3-benzothiazol-2-ylmethylamino)-3-chlorobenzonitrile
CID 107807802
N,N-bis(1,3-benzothiazol-2-ylmethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 177476330
2-(1,3-benzothiazol-2-ylmethylamino)-5-bromobenzonitrile
CID 82708015

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106759597) is 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NCc1nc2ccccc2s1.
What is the InChIKey of 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is OBXMLHKNSGSOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-19(2)14-9-5-3-7-12(14)17-11-16-18-13-8-4-6-10-15(13)20-16/h3-10,17H,11H2,1-2H3.
What are the key properties of 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 283.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-benzothiazol-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106759597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).