N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide

C9H15N3O2S — CID 79253100

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C9H15N3O2S/c1-5(2)7(4-13)10-9(14)8-6(3)11-12-15-8/h5,7,13H,4H2,1-3H3,(H,10,14)
InChIKeyVAPBMLATNNHDBI-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.59
Rot. Bonds4

About N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 79253100) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID79253100
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C9H15N3O2S/c1-5(2)7(4-13)10-9(14)8-6(3)11-12-15-8/h5,7,13H,4H2,1-3H3,(H,10,14)
InChIKeyVAPBMLATNNHDBI-UHFFFAOYSA-N
XLogP0.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 79245995
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65198611
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 110205611
N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
CID 130667963
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79249595
N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 114311643
N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405
3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65220608
N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 106183126
N-(3-bromobutyl)-4-methylthiadiazole-5-carboxamide
CID 114312469
4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
CID 110226454
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide (CID 79253100) is N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is VAPBMLATNNHDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(2)7(4-13)10-9(14)8-6(3)11-12-15-8/h5,7,13H,4H2,1-3H3,(H,10,14).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 79253100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).