(3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide

C14H15N3O4S2 — CID 59718229

IUPAC(3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide
SMILESCc1cnc(NC(=O)/C2=C(O)/C=C/C=C\C=C\S(=O)(=O)N2C)s1
InChIInChI=1S/C14H15N3O4S2/c1-10-9-15-14(22-10)16-13(19)12-11(18)7-5-3-4-6-8-23(20,21)17(12)2/h3-9,18H,1-2H3,(H,15,16,19)/b4-3-,7-5+,8-6+,12-11+
InChIKeyCBEMPUQJMKRNRH-ATHDHFPJSA-N
MW353.43 g/mol
LogP2.06
Rot. Bonds2

About (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide

(3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide (PubChem CID 59718229) has the molecular formula C14H15N3O4S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide.

Molecular Properties

Compound Name(3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide
PubChem CID59718229
Molecular FormulaC14H15N3O4S2
Molecular Weight353.43 g/mol
Exact Mass353.05
IUPAC Name(3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide
SMILESCc1cnc(NC(=O)/C2=C(O)/C=C/C=C\C=C\S(=O)(=O)N2C)s1
InChIInChI=1S/C14H15N3O4S2/c1-10-9-15-14(22-10)16-13(19)12-11(18)7-5-3-4-6-8-23(20,21)17(12)2/h3-9,18H,1-2H3,(H,15,16,19)/b4-3-,7-5+,8-6+,12-11+
InChIKeyCBEMPUQJMKRNRH-ATHDHFPJSA-N
XLogP2.06
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide?
The IUPAC name of (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide (CID 59718229) is (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide.
What is the SMILES notation for (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide?
The canonical SMILES for (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide is Cc1cnc(NC(=O)/C2=C(O)/C=C/C=C\C=C\S(=O)(=O)N2C)s1.
What is the InChIKey of (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide?
The InChIKey is CBEMPUQJMKRNRH-ATHDHFPJSA-N. The full InChI is InChI=1S/C14H15N3O4S2/c1-10-9-15-14(22-10)16-13(19)12-11(18)7-5-3-4-6-8-23(20,21)17(12)2/h3-9,18H,1-2H3,(H,15,16,19)/b4-3-,7-5+,8-6+,12-11+.
What are the key properties of (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide?
(3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide is sourced from PubChem (CID 59718229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).