4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid

C12H18N6O2S — CID 107475063

IUPAC4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCc1nnsc1-c1nnnn1CC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H18N6O2S/c1-7-9(21-17-13-7)10-14-15-16-18(10)6-8(11(19)20)5-12(2,3)4/h8H,5-6H2,1-4H3,(H,19,20)
InChIKeyGJNAEEQLVLHRFV-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.64
Rot. Bonds5

About 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid

4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 107475063) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID107475063
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCc1nnsc1-c1nnnn1CC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H18N6O2S/c1-7-9(21-17-13-7)10-14-15-16-18(10)6-8(11(19)20)5-12(2,3)4/h8H,5-6H2,1-4H3,(H,19,20)
InChIKeyGJNAEEQLVLHRFV-UHFFFAOYSA-N
XLogP1.64
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-2-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475123
2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid
CID 107474996
4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475006
2-[[5-(furan-3-yl)tetrazol-1-yl]methyl]-4,4-dimethylpentanoic acid
CID 107475162
4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475114
4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475215
4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475047
2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid
CID 66041566
4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541368
4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
CID 107474963
2-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 80641921
4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475072

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid (CID 107475063) is 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid is Cc1nnsc1-c1nnnn1CC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is GJNAEEQLVLHRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-7-9(21-17-13-7)10-14-15-16-18(10)6-8(11(19)20)5-12(2,3)4/h8H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid?
4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 310.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 107475063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).