2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide

C15H15N5O2S2 — CID 143267005

IUPAC2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(/C(=N/OC)c3cccs3)nc(N)nc2s1
InChIInChI=1S/C15H15N5O2S2/c1-3-17-13(21)10-7-8-11(18-15(16)19-14(8)24-10)12(20-22-2)9-5-4-6-23-9/h4-7H,3H2,1-2H3,(H,17,21)(H2,16,18,19)/b20-12+
InChIKeyPWAARDBPXQBARC-UDWIEESQSA-N
MW361.45 g/mol
LogP2.48
Rot. Bonds5

About 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143267005) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143267005
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC Name2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(/C(=N/OC)c3cccs3)nc(N)nc2s1
InChIInChI=1S/C15H15N5O2S2/c1-3-17-13(21)10-7-8-11(18-15(16)19-14(8)24-10)12(20-22-2)9-5-4-6-23-9/h4-7H,3H2,1-2H3,(H,17,21)(H2,16,18,19)/b20-12+
InChIKeyPWAARDBPXQBARC-UDWIEESQSA-N
XLogP2.48
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 143267005) is 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(/C(=N/OC)c3cccs3)nc(N)nc2s1.
What is the InChIKey of 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PWAARDBPXQBARC-UDWIEESQSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-3-17-13(21)10-7-8-11(18-15(16)19-14(8)24-10)12(20-22-2)9-5-4-6-23-9/h4-7H,3H2,1-2H3,(H,17,21)(H2,16,18,19)/b20-12+.
What are the key properties of 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-[(Z)-N-methoxy-C-thiophen-2-ylcarbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143267005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).