4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine

C12H11N3OS2 — CID 75498214

IUPAC4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(NCc3cncs3)nc12
InChIInChI=1S/C12H11N3OS2/c1-16-9-3-2-4-10-11(9)15-12(18-10)14-6-8-5-13-7-17-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyAGLWYOFVXJZLGB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.37
Rot. Bonds4

About 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine

4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 75498214) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID75498214
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(NCc3cncs3)nc12
InChIInChI=1S/C12H11N3OS2/c1-16-9-3-2-4-10-11(9)15-12(18-10)14-6-8-5-13-7-17-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyAGLWYOFVXJZLGB-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(4-methylsulfinylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 86782892
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 86790719
4-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3376104
2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
CID 119087334
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
2,2,2-trifluoroethyl N-(4-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 52908161
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine (CID 75498214) is 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine is COc1cccc2sc(NCc3cncs3)nc12.
What is the InChIKey of 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is AGLWYOFVXJZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-16-9-3-2-4-10-11(9)15-12(18-10)14-6-8-5-13-7-17-8/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 75498214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).