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

C17H14N4OS2 — CID 108779961

IUPAC6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCc3csc(-c4cccnc4)n3)sc2c1
InChIInChI=1S/C17H14N4OS2/c1-22-13-4-5-14-15(7-13)24-17(21-14)19-9-12-10-23-16(20-12)11-3-2-6-18-8-11/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyYNALZZGOSSJZCL-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.44
Rot. Bonds5

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

6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 108779961) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID108779961
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC Name6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCc3csc(-c4cccnc4)n3)sc2c1
InChIInChI=1S/C17H14N4OS2/c1-22-13-4-5-14-15(7-13)24-17(21-14)19-9-12-10-23-16(20-12)11-3-2-6-18-8-11/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyYNALZZGOSSJZCL-UHFFFAOYSA-N
XLogP4.44
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

6-chloro-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 108779956
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204586
6-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518208
6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 114701205
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 112795057
2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770964
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518059
(7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 55388121
6-chloro-2-methyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 108779955
6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 162380441

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine (CID 108779961) is 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine is COc1ccc2nc(NCc3csc(-c4cccnc4)n3)sc2c1.
What is the InChIKey of 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is YNALZZGOSSJZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c1-22-13-4-5-14-15(7-13)24-17(21-14)19-9-12-10-23-16(20-12)11-3-2-6-18-8-11/h2-8,10H,9H2,1H3,(H,19,21).
What are the key properties of 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 354.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108779961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).