N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride

C8H15ClN4OS — CID 120505502

IUPACN-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C8H14N4OS.ClH/c1-3-6-7(14-12-11-6)8(13)10-5(2)4-9;/h5H,3-4,9H2,1-2H3,(H,10,13);1H/t5-;/m0./s1
InChIKeyINOLKQUMPSDFBN-JEDNCBNOSA-N
MW250.75 g/mol
LogP0.60
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride (PubChem CID 120505502) has the molecular formula C8H15ClN4OS and a molecular weight of 250.75 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
PubChem CID120505502
Molecular FormulaC8H15ClN4OS
Molecular Weight250.75 g/mol
Exact Mass250.07
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C8H14N4OS.ClH/c1-3-6-7(14-12-11-6)8(13)10-5(2)4-9;/h5H,3-4,9H2,1-2H3,(H,10,13);1H/t5-;/m0./s1
InChIKeyINOLKQUMPSDFBN-JEDNCBNOSA-N
XLogP0.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide
CID 62046686
N-[(1R)-1-cyclopropylethyl]-4-ethylthiadiazole-5-carboxamide
CID 30796558
4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide
CID 94025961
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
tert-butyl (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbutanoate
CID 81000063
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
4-ethylthiadiazole-5-carboxamide
CID 45084470
(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823345
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
N-(5-chloropentan-2-yl)-4-propylthiadiazole-5-carboxamide
CID 114305945
4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
CID 34815435

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride (CID 120505502) is N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride is CCc1nnsc1C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride?
The InChIKey is INOLKQUMPSDFBN-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H14N4OS.ClH/c1-3-6-7(14-12-11-6)8(13)10-5(2)4-9;/h5H,3-4,9H2,1-2H3,(H,10,13);1H/t5-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120505502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).