N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide

C8H8Cl2N2OS — CID 126834628

IUPACN-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCC=C(Cl)Cl)ns1
InChIInChI=1S/C8H8Cl2N2OS/c1-5-4-6(12-14-5)8(13)11-3-2-7(9)10/h2,4H,3H2,1H3,(H,11,13)
InChIKeyWRNLRXLFCOGMGU-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.50
Rot. Bonds3

About N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide

N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 126834628) has the molecular formula C8H8Cl2N2OS and a molecular weight of 251.14 g/mol. Its IUPAC name is N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID126834628
Molecular FormulaC8H8Cl2N2OS
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC NameN-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCC=C(Cl)Cl)ns1
InChIInChI=1S/C8H8Cl2N2OS/c1-5-4-6(12-14-5)8(13)11-3-2-7(9)10/h2,4H,3H2,1H3,(H,11,13)
InChIKeyWRNLRXLFCOGMGU-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide (CID 126834628) is N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NCC=C(Cl)Cl)ns1.
What is the InChIKey of N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is WRNLRXLFCOGMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2OS/c1-5-4-6(12-14-5)8(13)11-3-2-7(9)10/h2,4H,3H2,1H3,(H,11,13).
What are the key properties of N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide?
N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 251.14 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126834628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).