N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide

C15H19N3O2S — CID 99828131

IUPACN-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cnsn1
InChIInChI=1S/C15H19N3O2S/c1-3-15(2,20)11-18(10-12-7-5-4-6-8-12)14(19)13-9-16-21-17-13/h4-9,20H,3,10-11H2,1-2H3/t15-/m1/s1
InChIKeyOXVAJPASDBWNLU-OAHLLOKOSA-N
MW305.40 g/mol
LogP2.34
Rot. Bonds6

About N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide

N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 99828131) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID99828131
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cnsn1
InChIInChI=1S/C15H19N3O2S/c1-3-15(2,20)11-18(10-12-7-5-4-6-8-12)14(19)13-9-16-21-17-13/h4-9,20H,3,10-11H2,1-2H3/t15-/m1/s1
InChIKeyOXVAJPASDBWNLU-OAHLLOKOSA-N
XLogP2.34
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide
CID 47350587
1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea
CID 99830823
2-amino-N,N-dibenzyl-2-ethylbutanamide
CID 130161860
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
CID 109190719
2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
CID 79274237
2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
CID 43522539
1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol
CID 130952113
N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
CID 62679186
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75444934
N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide
CID 99789218

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide (CID 99828131) is N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide is CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cnsn1.
What is the InChIKey of N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is OXVAJPASDBWNLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-15(2,20)11-18(10-12-7-5-4-6-8-12)14(19)13-9-16-21-17-13/h4-9,20H,3,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide?
N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 99828131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).