7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H12ClN5OS — CID 47064214

IUPAC7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2cc(Cl)ccc2-n2cccn2)nc2sccn12
InChIInChI=1S/C16H12ClN5OS/c17-11-2-3-14(22-5-1-4-19-22)13(8-11)18-10-12-9-15(23)21-6-7-24-16(21)20-12/h1-9,18H,10H2
InChIKeyHRUGBIJAEJKSLQ-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.21
Rot. Bonds4

About 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 47064214) has the molecular formula C16H12ClN5OS and a molecular weight of 357.83 g/mol. Its IUPAC name is 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID47064214
Molecular FormulaC16H12ClN5OS
Molecular Weight357.83 g/mol
Exact Mass357.05
IUPAC Name7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2cc(Cl)ccc2-n2cccn2)nc2sccn12
InChIInChI=1S/C16H12ClN5OS/c17-11-2-3-14(22-5-1-4-19-22)13(8-11)18-10-12-9-15(23)21-6-7-24-16(21)20-12/h1-9,18H,10H2
InChIKeyHRUGBIJAEJKSLQ-UHFFFAOYSA-N
XLogP3.21
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 47064214) is 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CNc2cc(Cl)ccc2-n2cccn2)nc2sccn12.
What is the InChIKey of 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HRUGBIJAEJKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5OS/c17-11-2-3-14(22-5-1-4-19-22)13(8-11)18-10-12-9-15(23)21-6-7-24-16(21)20-12/h1-9,18H,10H2.
What are the key properties of 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 357.83 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 47064214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).