3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C12H19ClN4OS — CID 119675982

IUPAC3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCc1nnc(NC(=O)C2C3CCC(C3)C2N)s1.Cl
InChIInChI=1S/C12H18N4OS.ClH/c1-2-8-15-16-12(18-8)14-11(17)9-6-3-4-7(5-6)10(9)13;/h6-7,9-10H,2-5,13H2,1H3,(H,14,16,17);1H
InChIKeyQYHSJJDRCFMVDM-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.83
Rot. Bonds3

About 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119675982) has the molecular formula C12H19ClN4OS and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119675982
Molecular FormulaC12H19ClN4OS
Molecular Weight302.83 g/mol
Exact Mass302.10
IUPAC Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCc1nnc(NC(=O)C2C3CCC(C3)C2N)s1.Cl
InChIInChI=1S/C12H18N4OS.ClH/c1-2-8-15-16-12(18-8)14-11(17)9-6-3-4-7(5-6)10(9)13;/h6-7,9-10H,2-5,13H2,1H3,(H,14,16,17);1H
InChIKeyQYHSJJDRCFMVDM-UHFFFAOYSA-N
XLogP1.83
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119755294
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119745120
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154837433
3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727864
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726323
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700438
N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 17448062
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 119675992
3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 116786903

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119675982) is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCc1nnc(NC(=O)C2C3CCC(C3)C2N)s1.Cl.
What is the InChIKey of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is QYHSJJDRCFMVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS.ClH/c1-2-8-15-16-12(18-8)14-11(17)9-6-3-4-7(5-6)10(9)13;/h6-7,9-10H,2-5,13H2,1H3,(H,14,16,17);1H.
What are the key properties of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 302.83 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119675982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).