4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide

C13H20N4OS — CID 65205211

IUPAC4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H20N4OS/c1-6-13(7-2,8-14)15-11(18)9-10(12(3,4)5)16-17-19-9/h6-7H2,1-5H3,(H,15,18)
InChIKeyKLVFWGYVYXWDMY-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.65
Rot. Bonds4

About 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide

4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide (PubChem CID 65205211) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide
PubChem CID65205211
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H20N4OS/c1-6-13(7-2,8-14)15-11(18)9-10(12(3,4)5)16-17-19-9/h6-7H2,1-5H3,(H,15,18)
InChIKeyKLVFWGYVYXWDMY-UHFFFAOYSA-N
XLogP2.65
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide
CID 65205209
4-tert-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiadiazole-5-carboxamide
CID 107866649
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-tert-butylthiadiazole-5-carboxamide
CID 107868164
4-tert-butyl-N-(1-chloro-3-methylpentan-3-yl)thiadiazole-5-carboxamide
CID 114153095
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
CID 77059738
4-[(4-tert-butylthiadiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 65205797
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide
CID 65210557
4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
CID 65204875
N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204609
4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
CID 83057848
4-tert-butyl-N-(2-cyanopropyl)-N-ethylthiadiazole-5-carboxamide
CID 65205413

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide (CID 65205211) is 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide is CCC(C#N)(CC)NC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide?
The InChIKey is KLVFWGYVYXWDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-6-13(7-2,8-14)15-11(18)9-10(12(3,4)5)16-17-19-9/h6-7H2,1-5H3,(H,15,18).
What are the key properties of 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-cyanopentan-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65205211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).