N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide

C9H11N5OS — CID 43546405

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C9H11N5OS/c1-4-7(5(2)12-11-4)10-9(15)8-6(3)13-14-16-8/h1-3H3,(H,10,15)(H,11,12)
InChIKeyOMHARLNDIXUULR-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.44
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 43546405) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID43546405
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C9H11N5OS/c1-4-7(5(2)12-11-4)10-9(15)8-6(3)13-14-16-8/h1-3H3,(H,10,15)(H,11,12)
InChIKeyOMHARLNDIXUULR-UHFFFAOYSA-N
XLogP1.44
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide (CID 43546405) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is OMHARLNDIXUULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-4-7(5(2)12-11-4)10-9(15)8-6(3)13-14-16-8/h1-3H3,(H,10,15)(H,11,12).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 43546405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).