3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide

C20H17ClN4O2S2 — CID 10366207

IUPAC3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide
SMILESCN1C(=O)C(Cc2cccc(Cl)c2)Sc2nc(C(=O)NCc3nccs3)ccc21
InChIInChI=1S/C20H17ClN4O2S2/c1-25-15-6-5-14(18(26)23-11-17-22-7-8-28-17)24-19(15)29-16(20(25)27)10-12-3-2-4-13(21)9-12/h2-9,16H,10-11H2,1H3,(H,23,26)
InChIKeyAEHQKDLIJVDHCP-UHFFFAOYSA-N
MW444.97 g/mol
LogP3.80
Rot. Bonds5

About 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide

3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide (PubChem CID 10366207) has the molecular formula C20H17ClN4O2S2 and a molecular weight of 444.97 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide
PubChem CID10366207
Molecular FormulaC20H17ClN4O2S2
Molecular Weight444.97 g/mol
Exact Mass444.05
IUPAC Name3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide
SMILESCN1C(=O)C(Cc2cccc(Cl)c2)Sc2nc(C(=O)NCc3nccs3)ccc21
InChIInChI=1S/C20H17ClN4O2S2/c1-25-15-6-5-14(18(26)23-11-17-22-7-8-28-17)24-19(15)29-16(20(25)27)10-12-3-2-4-13(21)9-12/h2-9,16H,10-11H2,1H3,(H,23,26)
InChIKeyAEHQKDLIJVDHCP-UHFFFAOYSA-N
XLogP3.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.97
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide (CID 10366207) is 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide is CN1C(=O)C(Cc2cccc(Cl)c2)Sc2nc(C(=O)NCc3nccs3)ccc21.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide?
The InChIKey is AEHQKDLIJVDHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S2/c1-25-15-6-5-14(18(26)23-11-17-22-7-8-28-17)24-19(15)29-16(20(25)27)10-12-3-2-4-13(21)9-12/h2-9,16H,10-11H2,1H3,(H,23,26).
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide?
3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide has a molecular weight of 444.97 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrido[2,3-b][1,4]thiazine-6-carboxamide is sourced from PubChem (CID 10366207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).