5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride

C8H13ClN4OS — CID 130905105

IUPAC5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1nnsc1N)C1CC1.Cl
InChIInChI=1S/C8H12N4OS.ClH/c1-4(5-2-3-5)10-8(13)6-7(9)14-12-11-6;/h4-5H,2-3,9H2,1H3,(H,10,13);1H
InChIKeySSSZJRASKBMRRW-UHFFFAOYSA-N
MW248.74 g/mol
LogP1.07
Rot. Bonds3

About 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride

5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride (PubChem CID 130905105) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride
PubChem CID130905105
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC Name5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1nnsc1N)C1CC1.Cl
InChIInChI=1S/C8H12N4OS.ClH/c1-4(5-2-3-5)10-8(13)6-7(9)14-12-11-6;/h4-5H,2-3,9H2,1H3,(H,10,13);1H
InChIKeySSSZJRASKBMRRW-UHFFFAOYSA-N
XLogP1.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1499046
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CID 2721175
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CID 13928105
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CID 65188856
CID 65188856
CID 65198663
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CID 75513760
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CID 75513761
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CID 105441111
CID 105441111
CID 105442112
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CID 105442113
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CID 105451503
CID 105451503

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride (CID 130905105) is 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride is CC(NC(=O)c1nnsc1N)C1CC1.Cl.
What is the InChIKey of 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride?
The InChIKey is SSSZJRASKBMRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS.ClH/c1-4(5-2-3-5)10-8(13)6-7(9)14-12-11-6;/h4-5H,2-3,9H2,1H3,(H,10,13);1H.
What are the key properties of 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride?
5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride has a molecular weight of 248.74 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 130905105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).