N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide

C12H21N3OS — CID 59614243

IUPACN,N-ditert-butyl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H21N3OS/c1-8-9(17-14-13-8)10(16)15(11(2,3)4)12(5,6)7/h1-7H3
InChIKeyZKGLGXGXPFCAPX-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.89
Rot. Bonds1

About N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide

N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide (PubChem CID 59614243) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-ditert-butyl-4-methylthiadiazole-5-carboxamide
PubChem CID59614243
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN,N-ditert-butyl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H21N3OS/c1-8-9(17-14-13-8)10(16)15(11(2,3)4)12(5,6)7/h1-7H3
InChIKeyZKGLGXGXPFCAPX-UHFFFAOYSA-N
XLogP2.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide (CID 59614243) is N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide?
The InChIKey is ZKGLGXGXPFCAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-9(17-14-13-8)10(16)15(11(2,3)4)12(5,6)7/h1-7H3.
What are the key properties of N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide?
N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 59614243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).