propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate

C11H17N3O3S — CID 51256575

IUPACpropan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate
SMILESCCc1nnsc1C(=O)NCCC(=O)OC(C)C
InChIInChI=1S/C11H17N3O3S/c1-4-8-10(18-14-13-8)11(16)12-6-5-9(15)17-7(2)3/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyORLSHHQNVZGCFL-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.17
Rot. Bonds6

About propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate

propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate (PubChem CID 51256575) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate
PubChem CID51256575
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namepropan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate
SMILESCCc1nnsc1C(=O)NCCC(=O)OC(C)C
InChIInChI=1S/C11H17N3O3S/c1-4-8-10(18-14-13-8)11(16)12-6-5-9(15)17-7(2)3/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyORLSHHQNVZGCFL-UHFFFAOYSA-N
XLogP1.17
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
N-[(1R)-1-cyclopropylethyl]-4-ethylthiadiazole-5-carboxamide
CID 30796558
4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide
CID 103800680
N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120505502
N-(2-bromo-3-ethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 106288343
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 9404499
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate?
The IUPAC name of propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate (CID 51256575) is propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate?
The canonical SMILES for propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate is CCc1nnsc1C(=O)NCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate?
The InChIKey is ORLSHHQNVZGCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-8-10(18-14-13-8)11(16)12-6-5-9(15)17-7(2)3/h7H,4-6H2,1-3H3,(H,12,16).
What are the key properties of propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate?
propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate has a molecular weight of 271.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 51256575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).