N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C19H16N4O2S2 — CID 24539021

IUPACN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)c3csc(-c4ccc(C)cc4)n3)cnc2s1
InChIInChI=1S/C19H16N4O2S2/c1-3-13-8-14-18(27-13)20-10-23(19(14)25)22-16(24)15-9-26-17(21-15)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,22,24)
InChIKeyPCXQXEXCJPASEX-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.84
Rot. Bonds4

About N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24539021) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24539021
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)c3csc(-c4ccc(C)cc4)n3)cnc2s1
InChIInChI=1S/C19H16N4O2S2/c1-3-13-8-14-18(27-13)20-10-23(19(14)25)22-16(24)15-9-26-17(21-15)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,22,24)
InChIKeyPCXQXEXCJPASEX-UHFFFAOYSA-N
XLogP3.84
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 24539021) is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is CCc1cc2c(=O)n(NC(=O)c3csc(-c4ccc(C)cc4)n3)cnc2s1.
What is the InChIKey of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PCXQXEXCJPASEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-3-13-8-14-18(27-13)20-10-23(19(14)25)22-16(24)15-9-26-17(21-15)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24539021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).