N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide

C11H8ClF2N3OS — CID 142383526

IUPACN-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1snnc1C(F)F
InChIInChI=1S/C11H8ClF2N3OS/c1-5-6(12)3-2-4-7(5)15-11(18)9-8(10(13)14)16-17-19-9/h2-4,10H,1H3,(H,15,18)
InChIKeyXQYAMBYPSAYJOF-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.69
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide

N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide (PubChem CID 142383526) has the molecular formula C11H8ClF2N3OS and a molecular weight of 303.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide
PubChem CID142383526
Molecular FormulaC11H8ClF2N3OS
Molecular Weight303.72 g/mol
Exact Mass303.00
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1snnc1C(F)F
InChIInChI=1S/C11H8ClF2N3OS/c1-5-6(12)3-2-4-7(5)15-11(18)9-8(10(13)14)16-17-19-9/h2-4,10H,1H3,(H,15,18)
InChIKeyXQYAMBYPSAYJOF-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide (CID 142383526) is N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1snnc1C(F)F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide?
The InChIKey is XQYAMBYPSAYJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3OS/c1-5-6(12)3-2-4-7(5)15-11(18)9-8(10(13)14)16-17-19-9/h2-4,10H,1H3,(H,15,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide?
N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide has a molecular weight of 303.72 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 142383526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).