5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid

C11H17N3O3S — CID 65493699

IUPAC5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)c1cnns1)CC(=O)O
InChIInChI=1S/C11H17N3O3S/c1-7(2)3-8(4-10(15)16)5-12-11(17)9-6-13-14-18-9/h6-8H,3-5H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyBPYVOYAQPXPKAM-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.40
Rot. Bonds7

About 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid

5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid (PubChem CID 65493699) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid
PubChem CID65493699
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)c1cnns1)CC(=O)O
InChIInChI=1S/C11H17N3O3S/c1-7(2)3-8(4-10(15)16)5-12-11(17)9-6-13-14-18-9/h6-8H,3-5H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyBPYVOYAQPXPKAM-UHFFFAOYSA-N
XLogP1.40
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide
CID 107157654
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
CID 102914845
(2S)-4-methyl-2-[[2-(thiadiazole-5-carbonylamino)acetyl]amino]pentanoic acid
CID 120695799
N-[(2R)-2-(ethylamino)propyl]thiadiazole-5-carboxamide;hydrochloride
CID 120651512
5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492048
5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492256
(3S)-3-[[(2,6-dihydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 107688084
N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
CID 106117656
N-(2-aminobutyl)thiadiazole-5-carboxamide
CID 63733239
3-[[(4-aminobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493934
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492460

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid (CID 65493699) is 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid is CC(C)CC(CNC(=O)c1cnns1)CC(=O)O.
What is the InChIKey of 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid?
The InChIKey is BPYVOYAQPXPKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(2)3-8(4-10(15)16)5-12-11(17)9-6-13-14-18-9/h6-8H,3-5H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid?
5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid is sourced from PubChem (CID 65493699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).