2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C16H18N2O2S2 — CID 602248

IUPAC2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C16H18N2O2S2/c1-20-13-9-10(21-2)7-8-11(13)15(19)18-16-17-12-5-3-4-6-14(12)22-16/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyLILAESSILLTAGJ-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.00
Rot. Bonds4

About 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 602248) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID602248
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C16H18N2O2S2/c1-20-13-9-10(21-2)7-8-11(13)15(19)18-16-17-12-5-3-4-6-14(12)22-16/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyLILAESSILLTAGJ-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 602248) is 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is COc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is LILAESSILLTAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-20-13-9-10(21-2)7-8-11(13)15(19)18-16-17-12-5-3-4-6-14(12)22-16/h7-9H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 334.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 602248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).