6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine

C14H15N3OS2 — CID 79518059

IUPAC6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3csc(C)n3)sc2c1
InChIInChI=1S/C14H15N3OS2/c1-3-18-11-4-5-12-13(6-11)20-14(17-12)15-7-10-8-19-9(2)16-10/h4-6,8H,3,7H2,1-2H3,(H,15,17)
InChIKeyGRPGOXMXMYJMBF-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.07
Rot. Bonds5

About 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine

6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 79518059) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID79518059
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3csc(C)n3)sc2c1
InChIInChI=1S/C14H15N3OS2/c1-3-18-11-4-5-12-13(6-11)20-14(17-12)15-7-10-8-19-9(2)16-10/h4-6,8H,3,7H2,1-2H3,(H,15,17)
InChIKeyGRPGOXMXMYJMBF-UHFFFAOYSA-N
XLogP4.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518208
6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
6-ethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79518600
6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 146133997
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 106419902
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 51489475
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine (CID 79518059) is 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NCc3csc(C)n3)sc2c1.
What is the InChIKey of 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is GRPGOXMXMYJMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-3-18-11-4-5-12-13(6-11)20-14(17-12)15-7-10-8-19-9(2)16-10/h4-6,8H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 305.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).