6-(ethylaminomethyl)-1,3-benzothiazol-2-amine

C10H13N3S — CID 65348658

IUPAC6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
SMILESCCNCc1ccc2nc(N)sc2c1
InChIInChI=1S/C10H13N3S/c1-2-12-6-7-3-4-8-9(5-7)14-10(11)13-8/h3-5,12H,2,6H2,1H3,(H2,11,13)
InChIKeyHBCFBPIPNANVFG-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.99
Rot. Bonds3

About 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine

6-(ethylaminomethyl)-1,3-benzothiazol-2-amine (PubChem CID 65348658) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
PubChem CID65348658
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
SMILESCCNCc1ccc2nc(N)sc2c1
InChIInChI=1S/C10H13N3S/c1-2-12-6-7-3-4-8-9(5-7)14-10(11)13-8/h3-5,12H,2,6H2,1H3,(H2,11,13)
InChIKeyHBCFBPIPNANVFG-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
CID 116999742
6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine
CID 106012038
6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 102913455
6-[(5-methylhexylamino)methyl]-1,3-benzothiazol-2-amine
CID 115325959
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]pentanamide;dodecane
CID 143717126
6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
CID 118873963
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348853
6-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
2-[(2-amino-1,3-benzothiazol-6-yl)methyl]butanoic acid
CID 116999798
5-(2-amino-1,3-benzothiazol-6-yl)pentan-2-one
CID 116999772
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348699

Frequently Asked Questions

What is the IUPAC name of 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine (CID 65348658) is 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine is CCNCc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine?
The InChIKey is HBCFBPIPNANVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-12-6-7-3-4-8-9(5-7)14-10(11)13-8/h3-5,12H,2,6H2,1H3,(H2,11,13).
What are the key properties of 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine?
6-(ethylaminomethyl)-1,3-benzothiazol-2-amine has a molecular weight of 207.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylaminomethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).