N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide

C9H14N4OS2 — CID 65198611

IUPACN-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C(N)=S)C(C)C
InChIInChI=1S/C9H14N4OS2/c1-4(2)6(8(10)15)11-9(14)7-5(3)12-13-16-7/h4,6H,1-3H3,(H2,10,15)(H,11,14)
InChIKeyVLKPTWNBFSDFCX-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.89
Rot. Bonds4

About N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide

N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 65198611) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID65198611
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC NameN-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C(N)=S)C(C)C
InChIInChI=1S/C9H14N4OS2/c1-4(2)6(8(10)15)11-9(14)7-5(3)12-13-16-7/h4,6H,1-3H3,(H2,10,15)(H,11,14)
InChIKeyVLKPTWNBFSDFCX-UHFFFAOYSA-N
XLogP0.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 79253100
4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide
CID 144745240
N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
CID 130667963
N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405
N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 114311643
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487
3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65220608
methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate
CID 65210597
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide
CID 114820763
(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 65206035
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide (CID 65198611) is N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C(N)=S)C(C)C.
What is the InChIKey of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is VLKPTWNBFSDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS2/c1-4(2)6(8(10)15)11-9(14)7-5(3)12-13-16-7/h4,6H,1-3H3,(H2,10,15)(H,11,14).
What are the key properties of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65198611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).