3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C12H18ClN3OS — CID 119678055

IUPAC3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1cnc(NC(=O)C2C3CCC(C3)C2N)s1.Cl
InChIInChI=1S/C12H17N3OS.ClH/c1-6-5-14-12(17-6)15-11(16)9-7-2-3-8(4-7)10(9)13;/h5,7-10H,2-4,13H2,1H3,(H,14,15,16);1H
InChIKeyHARABHRLXPOXSB-UHFFFAOYSA-N
MW287.82 g/mol
LogP2.19
Rot. Bonds2

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

3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119678055) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119678055
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1cnc(NC(=O)C2C3CCC(C3)C2N)s1.Cl
InChIInChI=1S/C12H17N3OS.ClH/c1-6-5-14-12(17-6)15-11(16)9-7-2-3-8(4-7)10(9)13;/h5,7-10H,2-4,13H2,1H3,(H,14,15,16);1H
InChIKeyHARABHRLXPOXSB-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119673379
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726323
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79048568
N-(5-methyl-1,3-thiazol-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 47158637
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
3-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119877178
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2969362
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119796724

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119678055) is 3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1cnc(NC(=O)C2C3CCC(C3)C2N)s1.Cl.
What is the InChIKey of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is HARABHRLXPOXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS.ClH/c1-6-5-14-12(17-6)15-11(16)9-7-2-3-8(4-7)10(9)13;/h5,7-10H,2-4,13H2,1H3,(H,14,15,16);1H.
What are the key properties of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 287.82 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119678055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).