2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide

C14H17N3O2S2 — CID 19615160

IUPAC2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2sc(C)cc2c(=O)n1CC
InChIInChI=1S/C14H17N3O2S2/c1-4-6-15-11(18)8-20-14-16-12-10(7-9(3)21-12)13(19)17(14)5-2/h4,7H,1,5-6,8H2,2-3H3,(H,15,18)
InChIKeyCNBAVHWRJILSGE-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.18
Rot. Bonds6

About 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide

2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide (PubChem CID 19615160) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
PubChem CID19615160
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2sc(C)cc2c(=O)n1CC
InChIInChI=1S/C14H17N3O2S2/c1-4-6-15-11(18)8-20-14-16-12-10(7-9(3)21-12)13(19)17(14)5-2/h4,7H,1,5-6,8H2,2-3H3,(H,15,18)
InChIKeyCNBAVHWRJILSGE-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 19615173
N-[4-(diethylamino)phenyl]-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 6491665
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 18078904
methyl 2-[[2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 6491667
3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 19615093
methyl 3-butyl-4-oxo-2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanylquinazoline-7-carboxylate
CID 2488188
N-(2-methylpropyl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7558194
2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-prop-2-enylacetamide
CID 2433839
3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 19615157
2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 17021487
3-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid
CID 27241406
2-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 41167764

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide (CID 19615160) is 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nc2sc(C)cc2c(=O)n1CC.
What is the InChIKey of 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The InChIKey is CNBAVHWRJILSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-4-6-15-11(18)8-20-14-16-12-10(7-9(3)21-12)13(19)17(14)5-2/h4,7H,1,5-6,8H2,2-3H3,(H,15,18).
What are the key properties of 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide?
2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide has a molecular weight of 323.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 19615160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).