5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C13H8ClN5O2S — CID 143513448

IUPAC5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2ncnc(-c3cc(Cl)cc(N=O)c3)c2c1N
InChIInChI=1S/C13H8ClN5O2S/c14-6-1-5(2-7(3-6)19-21)10-8-9(15)11(12(16)20)22-13(8)18-4-17-10/h1-4H,15H2,(H2,16,20)
InChIKeyKVKVXOHMOBWQSP-UHFFFAOYSA-N
MW333.76 g/mol
LogP3.09
Rot. Bonds3

About 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143513448) has the molecular formula C13H8ClN5O2S and a molecular weight of 333.76 g/mol. Its IUPAC name is 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143513448
Molecular FormulaC13H8ClN5O2S
Molecular Weight333.76 g/mol
Exact Mass333.01
IUPAC Name5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2ncnc(-c3cc(Cl)cc(N=O)c3)c2c1N
InChIInChI=1S/C13H8ClN5O2S/c14-6-1-5(2-7(3-6)19-21)10-8-9(15)11(12(16)20)22-13(8)18-4-17-10/h1-4H,15H2,(H2,16,20)
InChIKeyKVKVXOHMOBWQSP-UHFFFAOYSA-N
XLogP3.09
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 143513448) is 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2ncnc(-c3cc(Cl)cc(N=O)c3)c2c1N.
What is the InChIKey of 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KVKVXOHMOBWQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O2S/c14-6-1-5(2-7(3-6)19-21)10-8-9(15)11(12(16)20)22-13(8)18-4-17-10/h1-4H,15H2,(H2,16,20).
What are the key properties of 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 333.76 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-chloro-5-nitrosophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143513448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).