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

C17H13N3OS2 — CID 7513043

IUPAC5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(Nc3nc(-c4ccccc4)cs3)nc2c1
InChIInChI=1S/C17H13N3OS2/c1-21-12-7-8-15-13(9-12)18-17(23-15)20-16-19-14(10-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,20)
InChIKeyMGVADRJKENOFTQ-UHFFFAOYSA-N
MW339.45 g/mol
LogP5.17
Rot. Bonds4

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

5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 7513043) has the molecular formula C17H13N3OS2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID7513043
Molecular FormulaC17H13N3OS2
Molecular Weight339.45 g/mol
Exact Mass339.05
IUPAC Name5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(Nc3nc(-c4ccccc4)cs3)nc2c1
InChIInChI=1S/C17H13N3OS2/c1-21-12-7-8-15-13(9-12)18-17(23-15)20-16-19-14(10-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,20)
InChIKeyMGVADRJKENOFTQ-UHFFFAOYSA-N
XLogP5.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968995
5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513050
5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 7513064
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 7513120
6-methoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 117071543
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 8544319
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 7513043) is 5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is COc1ccc2sc(Nc3nc(-c4ccccc4)cs3)nc2c1.
What is the InChIKey of 5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is MGVADRJKENOFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS2/c1-21-12-7-8-15-13(9-12)18-17(23-15)20-16-19-14(10-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,20).
What are the key properties of 5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 339.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7513043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).