3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C19H18N4O2S2 — CID 30995061

IUPAC3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC(=O)c3cc(C)n(-c4nccs4)c3C)c(=O)c2c1C
InChIInChI=1S/C19H18N4O2S2/c1-10-7-14(12(3)23(10)19-20-5-6-26-19)15(24)8-22-9-21-17-16(18(22)25)11(2)13(4)27-17/h5-7,9H,8H2,1-4H3
InChIKeyGCQYEHCKXZUMFS-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.82
Rot. Bonds4

About 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 30995061) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID30995061
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC(=O)c3cc(C)n(-c4nccs4)c3C)c(=O)c2c1C
InChIInChI=1S/C19H18N4O2S2/c1-10-7-14(12(3)23(10)19-20-5-6-26-19)15(24)8-22-9-21-17-16(18(22)25)11(2)13(4)27-17/h5-7,9H,8H2,1-4H3
InChIKeyGCQYEHCKXZUMFS-UHFFFAOYSA-N
XLogP3.82
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

1-[4-Acetyl-2,5-dimethyl-1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrol-3-yl]ethanone
CID 2200198
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 121476884
1-[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one
CID 134156774
1-[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-4-one
CID 134134519
8-[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-8-azabicyclo[3.2.1]octan-3-one
CID 134141709
6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide
CID 121477188
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 16260913
N-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 17531565
N-[4-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41715670
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 18136700
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(2-thienylmethyl)amino]nicotinamide
CID 28956008
5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 47051846

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 30995061) is 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(CC(=O)c3cc(C)n(-c4nccs4)c3C)c(=O)c2c1C.
What is the InChIKey of 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is GCQYEHCKXZUMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-10-7-14(12(3)23(10)19-20-5-6-26-19)15(24)8-22-9-21-17-16(18(22)25)11(2)13(4)27-17/h5-7,9H,8H2,1-4H3.
What are the key properties of 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 398.51 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 30995061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).