N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide

C11H18N4OS2 — CID 65205324

IUPACN-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCCC(N)=S
InChIInChI=1S/C11H18N4OS2/c1-11(2,3)9-8(18-15-14-9)10(16)13-6-4-5-7(12)17/h4-6H2,1-3H3,(H2,12,17)(H,13,16)
InChIKeyPZRNYTIPBHKJGE-UHFFFAOYSA-N
MW286.43 g/mol
LogP1.63
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide

N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 65205324) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide
PubChem CID65205324
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC NameN-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCCC(N)=S
InChIInChI=1S/C11H18N4OS2/c1-11(2,3)9-8(18-15-14-9)10(16)13-6-4-5-7(12)17/h4-6H2,1-3H3,(H2,12,17)(H,13,16)
InChIKeyPZRNYTIPBHKJGE-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65204953
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
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
4-tert-butyl-N-(4-chloropentyl)thiadiazole-5-carboxamide
CID 106129514
4-tert-butyl-N-[(E)-pent-3-enyl]thiadiazole-5-carboxamide
CID 113465915
4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
CID 83057848
4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
CID 65204875
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206184
N-(2-bromo-3-methylbutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 113492979
4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide
CID 107487037

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide (CID 65205324) is N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NCCCC(N)=S.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is PZRNYTIPBHKJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-11(2,3)9-8(18-15-14-9)10(16)13-6-4-5-7(12)17/h4-6H2,1-3H3,(H2,12,17)(H,13,16).
What are the key properties of N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide?
N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 286.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).