N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide

C11H19N3O2S — CID 79245995

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C11H19N3O2S/c1-6(2)8(5-15)12-11(16)10-9(7(3)4)13-14-17-10/h6-8,15H,5H2,1-4H3,(H,12,16)/t8-/m1/s1
InChIKeyMGFPVDYSAVMZCT-MRVPVSSYSA-N
MW257.36 g/mol
LogP1.41
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 79245995) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID79245995
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C11H19N3O2S/c1-6(2)8(5-15)12-11(16)10-9(7(3)4)13-14-17-10/h6-8,15H,5H2,1-4H3,(H,12,16)/t8-/m1/s1
InChIKeyMGFPVDYSAVMZCT-MRVPVSSYSA-N
XLogP1.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 79253100
methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
CID 114283611
N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 113496232
N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204514
4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65206855
(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
CID 104964709
N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204185
5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
CID 82854225
3-methyl-2-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65214959
N-(2-amino-2-sulfanylideneethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204663
N-cyclopropyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204623
N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204488

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 79245995) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is MGFPVDYSAVMZCT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-6(2)8(5-15)12-11(16)10-9(7(3)4)13-14-17-10/h6-8,15H,5H2,1-4H3,(H,12,16)/t8-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 79245995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).