N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide

C16H18N4OS2 — CID 18081556

IUPACN-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2cccs2)nc2sc(C)c(C)c12
InChIInChI=1S/C16H18N4OS2/c1-9-10(2)23-16-13(9)15(18-7-6-17-11(3)21)19-14(20-16)12-5-4-8-22-12/h4-5,8H,6-7H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyDTJOVMINSWWNRS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.58
Rot. Bonds5

About N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 18081556) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID18081556
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2cccs2)nc2sc(C)c(C)c12
InChIInChI=1S/C16H18N4OS2/c1-9-10(2)23-16-13(9)15(18-7-6-17-11(3)21)19-14(20-16)12-5-4-8-22-12/h4-5,8H,6-7H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyDTJOVMINSWWNRS-UHFFFAOYSA-N
XLogP3.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60634136
2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium
CID 7872960
methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate
CID 17402660
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18133691
N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide
CID 26012076
5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 25384792
1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 24567416
3-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 17410711
N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 18269123
2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide
CID 17465237
5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 18284385
1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea
CID 42809298

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide (CID 18081556) is N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2cccs2)nc2sc(C)c(C)c12.
What is the InChIKey of N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is DTJOVMINSWWNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-9-10(2)23-16-13(9)15(18-7-6-17-11(3)21)19-14(20-16)12-5-4-8-22-12/h4-5,8H,6-7H2,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 18081556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).