N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

C16H15N3O3S — CID 69247150

IUPACN-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3scc(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C16H15N3O3S/c1-9-8-23-16-12(9)14(20)18-13(19-16)15(21)17-7-10-4-3-5-11(6-10)22-2/h3-6,8H,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyKTASZCQNPZRXCW-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.23
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 69247150) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID69247150
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3scc(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C16H15N3O3S/c1-9-8-23-16-12(9)14(20)18-13(19-16)15(21)17-7-10-4-3-5-11(6-10)22-2/h3-6,8H,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyKTASZCQNPZRXCW-UHFFFAOYSA-N
XLogP2.23
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (CID 69247150) is N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is COc1cccc(CNC(=O)c2nc3scc(C)c3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is KTASZCQNPZRXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-8-23-16-12(9)14(20)18-13(19-16)15(21)17-7-10-4-3-5-11(6-10)22-2/h3-6,8H,7H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 69247150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).