2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate

C18H13ClNO3S2- — CID 59385153

IUPAC2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate
SMILESO=C([O-])Cc1nc(-c2ccc3c(c2)CCCS3)oc1-c1ccc(Cl)s1
InChIInChI=1S/C18H14ClNO3S2/c19-15-6-5-14(25-15)17-12(9-16(21)22)20-18(23-17)11-3-4-13-10(8-11)2-1-7-24-13/h3-6,8H,1-2,7,9H2,(H,21,22)/p-1
InChIKeyZWPOXKZMPUGDBF-UHFFFAOYSA-M
MW390.89 g/mol
LogP4.05
Rot. Bonds4

About 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate

2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate (PubChem CID 59385153) has the molecular formula C18H13ClNO3S2- and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Name2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate
PubChem CID59385153
Molecular FormulaC18H13ClNO3S2-
Molecular Weight390.89 g/mol
Exact Mass390.00
IUPAC Name2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate
SMILESO=C([O-])Cc1nc(-c2ccc3c(c2)CCCS3)oc1-c1ccc(Cl)s1
InChIInChI=1S/C18H14ClNO3S2/c19-15-6-5-14(25-15)17-12(9-16(21)22)20-18(23-17)11-3-4-13-10(8-11)2-1-7-24-13/h3-6,8H,1-2,7,9H2,(H,21,22)/p-1
InChIKeyZWPOXKZMPUGDBF-UHFFFAOYSA-M
XLogP4.05
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate?
The IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate (CID 59385153) is 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate?
The canonical SMILES for 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate is O=C([O-])Cc1nc(-c2ccc3c(c2)CCCS3)oc1-c1ccc(Cl)s1.
What is the InChIKey of 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate?
The InChIKey is ZWPOXKZMPUGDBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14ClNO3S2/c19-15-6-5-14(25-15)17-12(9-16(21)22)20-18(23-17)11-3-4-13-10(8-11)2-1-7-24-13/h3-6,8H,1-2,7,9H2,(H,21,22)/p-1.
What are the key properties of 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate?
2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate has a molecular weight of 390.89 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 59385153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).