6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine

C15H17N3S2 — CID 106012038

IUPAC6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine
SMILESCCc1ccc(CNCc2ccc3nc(N)sc3c2)s1
InChIInChI=1S/C15H17N3S2/c1-2-11-4-5-12(19-11)9-17-8-10-3-6-13-14(7-10)20-15(16)18-13/h3-7,17H,2,8-9H2,1H3,(H2,16,18)
InChIKeyXONZUQUVBXKVNN-UHFFFAOYSA-N
MW303.46 g/mol
LogP3.79
Rot. Bonds5

About 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine

6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine (PubChem CID 106012038) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine
PubChem CID106012038
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC Name6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine
SMILESCCc1ccc(CNCc2ccc3nc(N)sc3c2)s1
InChIInChI=1S/C15H17N3S2/c1-2-11-4-5-12(19-11)9-17-8-10-3-6-13-14(7-10)20-15(16)18-13/h3-7,17H,2,8-9H2,1H3,(H2,16,18)
InChIKeyXONZUQUVBXKVNN-UHFFFAOYSA-N
XLogP3.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 102913455
6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
CID 116999742
2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 114137154
6-[(5-methylhexylamino)methyl]-1,3-benzothiazol-2-amine
CID 115325959
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
2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol
CID 113235536
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]pentanamide;dodecane
CID 143717126
6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348426
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 62319235

Frequently Asked Questions

What is the IUPAC name of 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine (CID 106012038) is 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine is CCc1ccc(CNCc2ccc3nc(N)sc3c2)s1.
What is the InChIKey of 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is XONZUQUVBXKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-2-11-4-5-12(19-11)9-17-8-10-3-6-13-14(7-10)20-15(16)18-13/h3-7,17H,2,8-9H2,1H3,(H2,16,18).
What are the key properties of 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine?
6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 303.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106012038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).