4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C21H25N5O4S2 — CID 142506400

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCS(=O)(=O)CC3)c12
InChIInChI=1S/C21H25N5O4S2/c1-30-11-5-4-8-23-20(27)15-14-31-21-17(15)19(26-9-12-32(28,29)13-10-26)24-18(25-21)16-6-2-3-7-22-16/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,23,27)
InChIKeyPKYCSEGKDAROIL-UHFFFAOYSA-N
MW475.60 g/mol
LogP2.14
Rot. Bonds8

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 142506400) has the molecular formula C21H25N5O4S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID142506400
Molecular FormulaC21H25N5O4S2
Molecular Weight475.60 g/mol
Exact Mass475.13
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCS(=O)(=O)CC3)c12
InChIInChI=1S/C21H25N5O4S2/c1-30-11-5-4-8-23-20(27)15-14-31-21-17(15)19(26-9-12-32(28,29)13-10-26)24-18(25-21)16-6-2-3-7-22-16/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,23,27)
InChIKeyPKYCSEGKDAROIL-UHFFFAOYSA-N
XLogP2.14
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429708
6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one
CID 159327659
4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 159200677
4-amino-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 159200675
N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 159928780
N-[2-(5-methoxy-3-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429663
ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
CID 142506663
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861
5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
CID 71542879
N-(3-methoxypropyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174450
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 142506400) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is COCCCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCS(=O)(=O)CC3)c12.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PKYCSEGKDAROIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S2/c1-30-11-5-4-8-23-20(27)15-14-31-21-17(15)19(26-9-12-32(28,29)13-10-26)24-18(25-21)16-6-2-3-7-22-16/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,23,27).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 142506400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).