2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

C15H10Cl2N2OS — CID 75393627

IUPAC2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESC/C(=C/c1ccc(Cl)cc1Cl)c1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C15H10Cl2N2OS/c1-8(6-9-2-3-10(16)7-12(9)17)13-18-14(20)11-4-5-21-15(11)19-13/h2-7H,1H3,(H,18,19,20)/b8-6-
InChIKeyNGCJFBOAHGHNSI-VURMDHGXSA-N
MW337.23 g/mol
LogP4.85
Rot. Bonds2

About 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 75393627) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID75393627
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESC/C(=C/c1ccc(Cl)cc1Cl)c1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C15H10Cl2N2OS/c1-8(6-9-2-3-10(16)7-12(9)17)13-18-14(20)11-4-5-21-15(11)19-13/h2-7H,1H3,(H,18,19,20)/b8-6-
InChIKeyNGCJFBOAHGHNSI-VURMDHGXSA-N
XLogP4.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 75393627) is 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one is C/C(=C/c1ccc(Cl)cc1Cl)c1nc2sccc2c(=O)[nH]1.
What is the InChIKey of 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is NGCJFBOAHGHNSI-VURMDHGXSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c1-8(6-9-2-3-10(16)7-12(9)17)13-18-14(20)11-4-5-21-15(11)19-13/h2-7H,1H3,(H,18,19,20)/b8-6-.
What are the key properties of 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 337.23 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(2,4-dichlorophenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 75393627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).