3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C10H8Cl2N2OS — CID 924592

IUPAC3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2OS/c11-7-2-1-6(5-8(7)12)9(15)14-10-13-3-4-16-10/h1-2,5H,3-4H2,(H,13,14,15)
InChIKeyYSYQCVXDJUMRGQ-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.83
Rot. Bonds1

About 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 924592) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID924592
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2OS/c11-7-2-1-6(5-8(7)12)9(15)14-10-13-3-4-16-10/h1-2,5H,3-4H2,(H,13,14,15)
InChIKeyYSYQCVXDJUMRGQ-UHFFFAOYSA-N
XLogP2.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 924592) is 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is O=C(NC1=NCCS1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is YSYQCVXDJUMRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-7-2-1-6(5-8(7)12)9(15)14-10-13-3-4-16-10/h1-2,5H,3-4H2,(H,13,14,15).
What are the key properties of 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 275.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 924592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).