1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride

C10H17ClN4OS — CID 119705865

IUPAC1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(C)c1nnc(NC(=O)C2(N)CC2)s1.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-9(2,3)7-13-14-8(16-7)12-6(15)10(11)4-5-10;/h4-5,11H2,1-3H3,(H,12,14,15);1H
InChIKeyXAYJGRQGIWUFNJ-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.69
Rot. Bonds2

About 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119705865) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119705865
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(C)c1nnc(NC(=O)C2(N)CC2)s1.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-9(2,3)7-13-14-8(16-7)12-6(15)10(11)4-5-10;/h4-5,11H2,1-3H3,(H,12,14,15);1H
InChIKeyXAYJGRQGIWUFNJ-UHFFFAOYSA-N
XLogP1.69
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride (CID 119705865) is 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride is CC(C)(C)c1nnc(NC(=O)C2(N)CC2)s1.Cl.
What is the InChIKey of 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is XAYJGRQGIWUFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS.ClH/c1-9(2,3)7-13-14-8(16-7)12-6(15)10(11)4-5-10;/h4-5,11H2,1-3H3,(H,12,14,15);1H.
What are the key properties of 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).