3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

C11H17N3O3S — CID 60826961

IUPAC3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H17N3O3S/c1-7-9(18-13-12-7)10(17)14(11(2,3)4)6-5-8(15)16/h5-6H2,1-4H3,(H,15,16)
InChIKeyVKUFEPMANPSTAO-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.56
Rot. Bonds4

About 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 60826961) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID60826961
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H17N3O3S/c1-7-9(18-13-12-7)10(17)14(11(2,3)4)6-5-8(15)16/h5-6H2,1-4H3,(H,15,16)
InChIKeyVKUFEPMANPSTAO-UHFFFAOYSA-N
XLogP1.56
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708348
2-[(4-Methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261804
3-Fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120491777
N,N-diethyl-4-methylthiadiazole-5-carboxamide
CID 7576663
(4-Methylthiadiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 7576679
4-methyl-N,N-di(propan-2-yl)thiadiazole-5-carboxamide
CID 20383920
N,N-ditert-butyl-4-methylthiadiazole-5-carboxamide
CID 59614243
N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 70658245
N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide
CID 89301602
4-methyl-N,N-dipropylthiadiazole-5-carboxamide
CID 7576665
N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576734
1-(4-Methyl-1,2,3-thiadiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 28777604

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (CID 60826961) is 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is Cc1nnsc1C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is VKUFEPMANPSTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-9(18-13-12-7)10(17)14(11(2,3)4)6-5-8(15)16/h5-6H2,1-4H3,(H,15,16).
What are the key properties of 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60826961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).