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

C15H11N3OS3 — CID 7513050

IUPAC5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(Nc3nc(-c4cccs4)cs3)nc2c1
InChIInChI=1S/C15H11N3OS3/c1-19-9-4-5-13-10(7-9)16-15(22-13)18-14-17-11(8-21-14)12-3-2-6-20-12/h2-8H,1H3,(H,16,17,18)
InChIKeySZRZHNNOFOCZTH-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.23
Rot. Bonds4

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

5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 7513050) has the molecular formula C15H11N3OS3 and a molecular weight of 345.47 g/mol. Its IUPAC name is 5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID7513050
Molecular FormulaC15H11N3OS3
Molecular Weight345.47 g/mol
Exact Mass345.01
IUPAC Name5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(Nc3nc(-c4cccs4)cs3)nc2c1
InChIInChI=1S/C15H11N3OS3/c1-19-9-4-5-13-10(7-9)16-15(22-13)18-14-17-11(8-21-14)12-3-2-6-20-12/h2-8H,1H3,(H,16,17,18)
InChIKeySZRZHNNOFOCZTH-UHFFFAOYSA-N
XLogP5.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513043
5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968995
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 7513120
5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 7513064
2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 43968960
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
N-[(4-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 2332955
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742139
6-methoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 117071543
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777084

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 7513050) is 5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is COc1ccc2sc(Nc3nc(-c4cccs4)cs3)nc2c1.
What is the InChIKey of 5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is SZRZHNNOFOCZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS3/c1-19-9-4-5-13-10(7-9)16-15(22-13)18-14-17-11(8-21-14)12-3-2-6-20-12/h2-8H,1H3,(H,16,17,18).
What are the key properties of 5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 345.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7513050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).