N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine

C14H21N3S — CID 82501389

IUPACN,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine
SMILESCC(C)c1nc2cc(C(CN)N(C)C)ccc2s1
InChIInChI=1S/C14H21N3S/c1-9(2)14-16-11-7-10(5-6-13(11)18-14)12(8-15)17(3)4/h5-7,9,12H,8,15H2,1-4H3
InChIKeyYSLYIYNPYKQGCY-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.98
Rot. Bonds4

About N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine

N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine (PubChem CID 82501389) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine
PubChem CID82501389
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine
SMILESCC(C)c1nc2cc(C(CN)N(C)C)ccc2s1
InChIInChI=1S/C14H21N3S/c1-9(2)14-16-11-7-10(5-6-13(11)18-14)12(8-15)17(3)4/h5-7,9,12H,8,15H2,1-4H3
InChIKeyYSLYIYNPYKQGCY-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol
CID 84699598
3-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)propanoic acid
CID 117415560
methyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)acetate
CID 117417547
2-propan-2-yl-1,3-benzothiazol-5-amine
CID 69263682
N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine
CID 82500695
5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole
CID 134533017
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine
CID 117399668
2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-benzothiazole
CID 58185511
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine
CID 84710188

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine (CID 82501389) is N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine is CC(C)c1nc2cc(C(CN)N(C)C)ccc2s1.
What is the InChIKey of N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine?
The InChIKey is YSLYIYNPYKQGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-9(2)14-16-11-7-10(5-6-13(11)18-14)12(8-15)17(3)4/h5-7,9,12H,8,15H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine has a molecular weight of 263.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 82501389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).