N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide

C10H17N3O2S — CID 111485978

IUPACN-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1csnn1
InChIInChI=1S/C10H17N3O2S/c1-4-7(2)10(3,15)6-11-9(14)8-5-16-13-12-8/h5,7,15H,4,6H2,1-3H3,(H,11,14)
InChIKeyMKTHMSMOAORPTM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.07
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide

N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide (PubChem CID 111485978) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide
PubChem CID111485978
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1csnn1
InChIInChI=1S/C10H17N3O2S/c1-4-7(2)10(3,15)6-11-9(14)8-5-16-13-12-8/h5,7,15H,4,6H2,1-3H3,(H,11,14)
InChIKeyMKTHMSMOAORPTM-UHFFFAOYSA-N
XLogP1.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid
CID 66174400
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907182
5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide
CID 111478104
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-4-carboxamide
CID 102914856
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide
CID 107156631
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide
CID 97212779
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide (CID 111485978) is N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide is CCC(C)C(C)(O)CNC(=O)c1csnn1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide?
The InChIKey is MKTHMSMOAORPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-7(2)10(3,15)6-11-9(14)8-5-16-13-12-8/h5,7,15H,4,6H2,1-3H3,(H,11,14).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide?
N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 111485978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).