N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride

C18H23ClN4O2S2 — CID 119605497

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O.Cl
InChIInChI=1S/C18H22N4O2S2.ClH/c1-11(2)18(3,9-19)21-14(23)7-22-10-20-16-15(17(22)24)12(8-26-16)13-5-4-6-25-13;/h4-6,8,10-11H,7,9,19H2,1-3H3,(H,21,23);1H
InChIKeyBOIYMPZONSOLSA-UHFFFAOYSA-N
MW427.00 g/mol
LogP3.10
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride (PubChem CID 119605497) has the molecular formula C18H23ClN4O2S2 and a molecular weight of 427.00 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride
PubChem CID119605497
Molecular FormulaC18H23ClN4O2S2
Molecular Weight427.00 g/mol
Exact Mass426.10
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O.Cl
InChIInChI=1S/C18H22N4O2S2.ClH/c1-11(2)18(3,9-19)21-14(23)7-22-10-20-16-15(17(22)24)12(8-26-16)13-5-4-6-25-13;/h4-6,8,10-11H,7,9,19H2,1-3H3,(H,21,23);1H
InChIKeyBOIYMPZONSOLSA-UHFFFAOYSA-N
XLogP3.10
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.00
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 78795359
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CID 17455120
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CID 55613603
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2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide
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2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride (CID 119605497) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride is CC(C)C(C)(CN)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride?
The InChIKey is BOIYMPZONSOLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2.ClH/c1-11(2)18(3,9-19)21-14(23)7-22-10-20-16-15(17(22)24)12(8-26-16)13-5-4-6-25-13;/h4-6,8,10-11H,7,9,19H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride has a molecular weight of 427.00 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119605497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).