4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide

C13H11N5OS — CID 45497323

IUPAC4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H11N5OS/c1-8-12(20-18-16-8)13(19)15-10-4-2-3-9(7-10)11-5-6-14-17-11/h2-7H,1H3,(H,14,17)(H,15,19)
InChIKeyMCEWRMXMSINAPU-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.49
Rot. Bonds3

About 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide

4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide (PubChem CID 45497323) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide
PubChem CID45497323
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H11N5OS/c1-8-12(20-18-16-8)13(19)15-10-4-2-3-9(7-10)11-5-6-14-17-11/h2-7H,1H3,(H,14,17)(H,15,19)
InChIKeyMCEWRMXMSINAPU-UHFFFAOYSA-N
XLogP2.49
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide (CID 45497323) is 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is MCEWRMXMSINAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-8-12(20-18-16-8)13(19)15-10-4-2-3-9(7-10)11-5-6-14-17-11/h2-7H,1H3,(H,14,17)(H,15,19).
What are the key properties of 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 45497323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).