N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

C14H11N3O2S — CID 58056378

IUPACN-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccccc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C14H11N3O2S/c1-19-11-5-3-2-4-10(11)17-14(18)9-7-20-12-6-15-8-16-13(9)12/h2-8H,1H3,(H,17,18)
InChIKeyFIUJLVQYVUCBLW-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.95
Rot. Bonds3

About N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056378) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056378
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccccc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C14H11N3O2S/c1-19-11-5-3-2-4-10(11)17-14(18)9-7-20-12-6-15-8-16-13(9)12/h2-8H,1H3,(H,17,18)
InChIKeyFIUJLVQYVUCBLW-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056378) is N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1ccccc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is FIUJLVQYVUCBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-11-5-3-2-4-10(11)17-14(18)9-7-20-12-6-15-8-16-13(9)12/h2-8H,1H3,(H,17,18).
What are the key properties of N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).