1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide

C10H8Cl2N2OS — CID 139626196

IUPAC1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)C1=CC=NS1(Cl)Cl
InChIInChI=1S/C10H8Cl2N2OS/c11-16(12)9(6-7-13-16)10(15)14-8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyQHVRIEMTZDYDRX-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.62
Rot. Bonds2

About 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide

1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide (PubChem CID 139626196) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide
PubChem CID139626196
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)C1=CC=NS1(Cl)Cl
InChIInChI=1S/C10H8Cl2N2OS/c11-16(12)9(6-7-13-16)10(15)14-8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyQHVRIEMTZDYDRX-UHFFFAOYSA-N
XLogP3.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-phenyl-1,3-thiazole-4-carboxamide
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4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
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2-hydroxy-N-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide?
The IUPAC name of 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide (CID 139626196) is 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide is O=C(Nc1ccccc1)C1=CC=NS1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide?
The InChIKey is QHVRIEMTZDYDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-16(12)9(6-7-13-16)10(15)14-8-4-2-1-3-5-8/h1-7H,(H,14,15).
What are the key properties of 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide?
1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide has a molecular weight of 275.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-N-phenyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 139626196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).