N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide

C11H8Cl2N2OS — CID 707068

IUPACN-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1c(Cl)nsc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c12-9-8(10(13)17-15-9)11(16)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,16)
InChIKeyLCBAITAXUBAEQW-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.38
Rot. Bonds3

About N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide

N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide (PubChem CID 707068) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide
PubChem CID707068
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC NameN-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1c(Cl)nsc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c12-9-8(10(13)17-15-9)11(16)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,16)
InChIKeyLCBAITAXUBAEQW-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide (CID 707068) is N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide is O=C(NCc1ccccc1)c1c(Cl)nsc1Cl.
What is the InChIKey of N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide?
The InChIKey is LCBAITAXUBAEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c12-9-8(10(13)17-15-9)11(16)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,16).
What are the key properties of N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide?
N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide has a molecular weight of 287.17 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 707068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).