N-tert-butyl-4-methylthiadiazole-5-carboxamide

C8H13N3OS — CID 7576689

IUPACN-tert-butyl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)(C)C
InChIInChI=1S/C8H13N3OS/c1-5-6(13-11-10-5)7(12)9-8(2,3)4/h1-4H3,(H,9,12)
InChIKeyCZUUAZZWYZFXJZ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.37
Rot. Bonds1

About N-tert-butyl-4-methylthiadiazole-5-carboxamide

N-tert-butyl-4-methylthiadiazole-5-carboxamide (PubChem CID 7576689) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-tert-butyl-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methylthiadiazole-5-carboxamide
PubChem CID7576689
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-tert-butyl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)(C)C
InChIInChI=1S/C8H13N3OS/c1-5-6(13-11-10-5)7(12)9-8(2,3)4/h1-4H3,(H,9,12)
InChIKeyCZUUAZZWYZFXJZ-UHFFFAOYSA-N
XLogP1.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-tert-butyl-4-methylthiadiazole-5-carboxamide (CID 7576689) is N-tert-butyl-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methylthiadiazole-5-carboxamide?
The InChIKey is CZUUAZZWYZFXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5-6(13-11-10-5)7(12)9-8(2,3)4/h1-4H3,(H,9,12).
What are the key properties of N-tert-butyl-4-methylthiadiazole-5-carboxamide?
N-tert-butyl-4-methylthiadiazole-5-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).