N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine

C12H17N3S — CID 82191542

IUPACN'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
SMILESCC(C)c1cccc2sc(NCCN)nc12
InChIInChI=1S/C12H17N3S/c1-8(2)9-4-3-5-10-11(9)15-12(16-10)14-7-6-13/h3-5,8H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyBLNOCUJZICGFPN-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.79
Rot. Bonds4

About N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine

N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine (PubChem CID 82191542) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
PubChem CID82191542
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
SMILESCC(C)c1cccc2sc(NCCN)nc12
InChIInChI=1S/C12H17N3S/c1-8(2)9-4-3-5-10-11(9)15-12(16-10)14-7-6-13/h3-5,8H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyBLNOCUJZICGFPN-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938454
N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 82549483
2,4-di(propan-2-yl)-1,3-benzothiazole;thiohydroxylamine
CID 19850946
1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081369
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 82191548
1-(3,4-dimethylphenyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081370
N'-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106049330
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 79147292
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
1-(4-propan-2-yl-1,3-benzothiazol-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 121082867

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine (CID 82191542) is N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine is CC(C)c1cccc2sc(NCCN)nc12.
What is the InChIKey of N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
The InChIKey is BLNOCUJZICGFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8(2)9-4-3-5-10-11(9)15-12(16-10)14-7-6-13/h3-5,8H,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine has a molecular weight of 235.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82191542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).