2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

C18H26N4O2S — CID 20890164

IUPAC2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCCN1CCCC1
InChIInChI=1S/C18H26N4O2S/c1-13-10-14(2)20-18-17(13)22(16(24)12-25-18)11-15(23)19-6-5-9-21-7-3-4-8-21/h10H,3-9,11-12H2,1-2H3,(H,19,23)
InChIKeyITCKEPQSCWXYST-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.74
Rot. Bonds6

About 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 20890164) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID20890164
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCCN1CCCC1
InChIInChI=1S/C18H26N4O2S/c1-13-10-14(2)20-18-17(13)22(16(24)12-25-18)11-15(23)19-6-5-9-21-7-3-4-8-21/h10H,3-9,11-12H2,1-2H3,(H,19,23)
InChIKeyITCKEPQSCWXYST-UHFFFAOYSA-N
XLogP1.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 20890169
N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20890135
2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 22575283
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 5115832
2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20881576
6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921179
6,8-dimethyl-N-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050110
N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
CID 20890074
4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168150
2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 58790053
N-[3-(azepan-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3660976
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 20890164) is 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCCN1CCCC1.
What is the InChIKey of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is ITCKEPQSCWXYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-13-10-14(2)20-18-17(13)22(16(24)12-25-18)11-15(23)19-6-5-9-21-7-3-4-8-21/h10H,3-9,11-12H2,1-2H3,(H,19,23).
What are the key properties of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 362.50 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 20890164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).