N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide

C10H8ClN3OS — CID 728524

IUPACN-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3OS/c1-6-9(16-14-13-6)10(15)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H,12,15)
InChIKeyPEIMOXABIXMPAH-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.75
Rot. Bonds2

About N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide

N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 728524) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID728524
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC NameN-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3OS/c1-6-9(16-14-13-6)10(15)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H,12,15)
InChIKeyPEIMOXABIXMPAH-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide (CID 728524) is N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is PEIMOXABIXMPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c1-6-9(16-14-13-6)10(15)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H,12,15).
What are the key properties of N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide?
N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 253.71 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 728524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).