N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide

C20H18N4O2S2 — CID 24512711

IUPACN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)Nn3cnc4sc(C)c(C)c4c3=O)cs2)cc1
InChIInChI=1S/C20H18N4O2S2/c1-4-13-5-7-14(8-6-13)18-22-15(9-27-18)17(25)23-24-10-21-19-16(20(24)26)11(2)12(3)28-19/h5-10H,4H2,1-3H3,(H,23,25)
InChIKeyIIRGKNMEQFOVCZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.14
Rot. Bonds4

About N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide

N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24512711) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24512711
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)Nn3cnc4sc(C)c(C)c4c3=O)cs2)cc1
InChIInChI=1S/C20H18N4O2S2/c1-4-13-5-7-14(8-6-13)18-22-15(9-27-18)17(25)23-24-10-21-19-16(20(24)26)11(2)12(3)28-19/h5-10H,4H2,1-3H3,(H,23,25)
InChIKeyIIRGKNMEQFOVCZ-UHFFFAOYSA-N
XLogP4.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24539021
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide
CID 17418394
3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 734927
N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 8947613
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 24673329
2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24538060
N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide
CID 2425616
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24522158
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24512946
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7629930
2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26664386

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (CID 24512711) is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is CCc1ccc(-c2nc(C(=O)Nn3cnc4sc(C)c(C)c4c3=O)cs2)cc1.
What is the InChIKey of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IIRGKNMEQFOVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-4-13-5-7-14(8-6-13)18-22-15(9-27-18)17(25)23-24-10-21-19-16(20(24)26)11(2)12(3)28-19/h5-10H,4H2,1-3H3,(H,23,25).
What are the key properties of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24512711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).