2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

C16H15N3O2S2 — CID 60564743

IUPAC2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)Nc2nc3ccc(OC)cc3s2)ccn1
InChIInChI=1S/C16H15N3O2S2/c1-3-22-14-8-10(6-7-17-14)15(20)19-16-18-12-5-4-11(21-2)9-13(12)23-16/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyZKLQZHLXZWILFU-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.06
Rot. Bonds5

About 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 60564743) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID60564743
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)Nc2nc3ccc(OC)cc3s2)ccn1
InChIInChI=1S/C16H15N3O2S2/c1-3-22-14-8-10(6-7-17-14)15(20)19-16-18-12-5-4-11(21-2)9-13(12)23-16/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyZKLQZHLXZWILFU-UHFFFAOYSA-N
XLogP4.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7578979
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxy-N-methylanilino)sulfanylbenzamide
CID 139506275
4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 3456818
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (CID 60564743) is 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is CCSc1cc(C(=O)Nc2nc3ccc(OC)cc3s2)ccn1.
What is the InChIKey of 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is ZKLQZHLXZWILFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-3-22-14-8-10(6-7-17-14)15(20)19-16-18-12-5-4-11(21-2)9-13(12)23-16/h4-9H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60564743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).