4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide

C11H19N3OS — CID 65210557

IUPAC4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3OS/c1-6-14(7-2)10(15)8-9(11(3,4)5)12-13-16-8/h6-7H2,1-5H3
InChIKeyZXIQHUHNZBZGFC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.32
Rot. Bonds3

About 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide

4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide (PubChem CID 65210557) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide
PubChem CID65210557
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3OS/c1-6-14(7-2)10(15)8-9(11(3,4)5)12-13-16-8/h6-7H2,1-5H3
InChIKeyZXIQHUHNZBZGFC-UHFFFAOYSA-N
XLogP2.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
CID 65210106
4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide
CID 65207586
4-tert-butyl-N-(2-cyanopropyl)-N-ethylthiadiazole-5-carboxamide
CID 65205413
4-tert-butyl-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492285
N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
CID 65210536
N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide
CID 79114769
1-(4-tert-butylthiadiazol-5-yl)-2-ethylbutan-1-one
CID 105117394
methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate
CID 65207341
N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide
CID 66183103
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
CID 115317522
1-(4-tert-butylthiadiazol-5-yl)nonan-1-one
CID 105087241

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide (CID 65210557) is 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide is CCN(CC)C(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide?
The InChIKey is ZXIQHUHNZBZGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-6-14(7-2)10(15)8-9(11(3,4)5)12-13-16-8/h6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide?
4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65210557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).