3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C14H23Cl2N3OS — CID 119841605

IUPAC3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCc1nc(CN(C)C(=O)C2C3CCC(C3)C2N)cs1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-8-16-11(7-19-8)6-17(2)14(18)12-9-3-4-10(5-9)13(12)15;;/h7,9-10,12-13H,3-6,15H2,1-2H3;2*1H
InChIKeyDUXKXAJUFRULRR-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.63
Rot. Bonds3

About 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119841605) has the molecular formula C14H23Cl2N3OS and a molecular weight of 352.33 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119841605
Molecular FormulaC14H23Cl2N3OS
Molecular Weight352.33 g/mol
Exact Mass351.09
IUPAC Name3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCc1nc(CN(C)C(=O)C2C3CCC(C3)C2N)cs1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-8-16-11(7-19-8)6-17(2)14(18)12-9-3-4-10(5-9)13(12)15;;/h7,9-10,12-13H,3-6,15H2,1-2H3;2*1H
InChIKeyDUXKXAJUFRULRR-UHFFFAOYSA-N
XLogP2.63
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64517474
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
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3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
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CID 98540715
3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119708504
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702990
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide
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N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119841605) is 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cc1nc(CN(C)C(=O)C2C3CCC(C3)C2N)cs1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is DUXKXAJUFRULRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS.2ClH/c1-8-16-11(7-19-8)6-17(2)14(18)12-9-3-4-10(5-9)13(12)15;;/h7,9-10,12-13H,3-6,15H2,1-2H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 352.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119841605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).