(2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C15H15ClN2OS — CID 6289697

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCC1(C)CN=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C1
InChIInChI=1S/C15H15ClN2OS/c1-15(2)8-17-14-18(9-15)13(19)12(20-14)7-10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3/b12-7-
InChIKeyAYROBRVAGZMEQE-GHXNOFRVSA-N
MW306.82 g/mol
LogP2.05
Rot. Bonds1

About (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one

(2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 6289697) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID6289697
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCC1(C)CN=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C1
InChIInChI=1S/C15H15ClN2OS/c1-15(2)8-17-14-18(9-15)13(19)12(20-14)7-10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3/b12-7-
InChIKeyAYROBRVAGZMEQE-GHXNOFRVSA-N
XLogP2.05
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 6289697) is (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one is CC1(C)CN=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C1.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is AYROBRVAGZMEQE-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-15(2)8-17-14-18(9-15)13(19)12(20-14)7-10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3/b12-7-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
(2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 306.82 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 6289697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).