7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C14H12Cl2N2O2S — CID 135680906

IUPAC7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)nc2n1CCCS2
InChIInChI=1S/C14H12Cl2N2O2S/c15-9-3-2-8(11(16)7-9)6-10-12(19)17-14-18(13(10)20)4-1-5-21-14/h2-3,7,19H,1,4-6H2
InChIKeyDQIOHQMMNSJLPI-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.34
Rot. Bonds2

About 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135680906) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135680906
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC Name7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)nc2n1CCCS2
InChIInChI=1S/C14H12Cl2N2O2S/c15-9-3-2-8(11(16)7-9)6-10-12(19)17-14-18(13(10)20)4-1-5-21-14/h2-3,7,19H,1,4-6H2
InChIKeyDQIOHQMMNSJLPI-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135680906) is 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(Cc2ccc(Cl)cc2Cl)c(O)nc2n1CCCS2.
What is the InChIKey of 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is DQIOHQMMNSJLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c15-9-3-2-8(11(16)7-9)6-10-12(19)17-14-18(13(10)20)4-1-5-21-14/h2-3,7,19H,1,4-6H2.
What are the key properties of 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 343.24 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135680906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).