N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride

C15H16ClN3O3S — CID 171151168

IUPACN-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)C=c2sc3n(c2=O)CCCN=3)cc1.Cl
InChIInChI=1S/C15H15N3O3S.ClH/c1-21-11-5-3-10(4-6-11)17-13(19)9-12-14(20)18-8-2-7-16-15(18)22-12;/h3-6,9H,2,7-8H2,1H3,(H,17,19);1H
InChIKeyOAPAGVLSKJRXBZ-UHFFFAOYSA-N
MW353.83 g/mol
LogP0.78
Rot. Bonds3

About N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride

N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride (PubChem CID 171151168) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride
PubChem CID171151168
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC NameN-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)C=c2sc3n(c2=O)CCCN=3)cc1.Cl
InChIInChI=1S/C15H15N3O3S.ClH/c1-21-11-5-3-10(4-6-11)17-13(19)9-12-14(20)18-8-2-7-16-15(18)22-12;/h3-6,9H,2,7-8H2,1H3,(H,17,19);1H
InChIKeyOAPAGVLSKJRXBZ-UHFFFAOYSA-N
XLogP0.78
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride (CID 171151168) is N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride is COc1ccc(NC(=O)C=c2sc3n(c2=O)CCCN=3)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride?
The InChIKey is OAPAGVLSKJRXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S.ClH/c1-21-11-5-3-10(4-6-11)17-13(19)9-12-14(20)18-8-2-7-16-15(18)22-12;/h3-6,9H,2,7-8H2,1H3,(H,17,19);1H.
What are the key properties of N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride?
N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride has a molecular weight of 353.83 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide;hydrochloride is sourced from PubChem (CID 171151168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).