N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide

C11H20N4OS — CID 115303345

IUPACN-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(N)CNC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H20N4OS/c1-10(2,3)8-7(17-15-14-8)9(16)13-6-11(4,5)12/h6,12H2,1-5H3,(H,13,16)
InChIKeyAQZXJFCTXICYGG-UHFFFAOYSA-N
MW256.38 g/mol
LogP1.30
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide

N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 115303345) has the molecular formula C11H20N4OS and a molecular weight of 256.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
PubChem CID115303345
Molecular FormulaC11H20N4OS
Molecular Weight256.38 g/mol
Exact Mass256.14
IUPAC NameN-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(N)CNC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H20N4OS/c1-10(2,3)8-7(17-15-14-8)9(16)13-6-11(4,5)12/h6,12H2,1-5H3,(H,13,16)
InChIKeyAQZXJFCTXICYGG-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65204953
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206184
4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide
CID 106512254
4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
CID 83057848
N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205324
4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
CID 65204875
4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide
CID 106512269
N-(4-bromobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 106845798
4-tert-butyl-N-(6-chlorohexyl)thiadiazole-5-carboxamide
CID 107847132
4-tert-butyl-N-[(E)-pent-3-enyl]thiadiazole-5-carboxamide
CID 113465915
N-(2-bromo-3-methylbutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 113492979
1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311960

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide (CID 115303345) is N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide is CC(C)(N)CNC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is AQZXJFCTXICYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-10(2,3)8-7(17-15-14-8)9(16)13-6-11(4,5)12/h6,12H2,1-5H3,(H,13,16).
What are the key properties of N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide?
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 256.38 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 115303345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).