3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C16H24ClN3OS — CID 119700438

IUPAC3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C16H23N3OS.ClH/c17-14-10-7-6-9(8-10)13(14)15(20)19-16-18-11-4-2-1-3-5-12(11)21-16;/h9-10,13-14H,1-8,17H2,(H,18,19,20);1H
InChIKeySJTBGVILVGWVSV-UHFFFAOYSA-N
MW341.91 g/mol
LogP3.15
Rot. Bonds2

About 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119700438) has the molecular formula C16H24ClN3OS and a molecular weight of 341.91 g/mol. Its IUPAC name is 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119700438
Molecular FormulaC16H24ClN3OS
Molecular Weight341.91 g/mol
Exact Mass341.13
IUPAC Name3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C16H23N3OS.ClH/c17-14-10-7-6-9(8-10)13(14)15(20)19-16-18-11-4-2-1-3-5-12(11)21-16;/h9-10,13-14H,1-8,17H2,(H,18,19,20);1H
InChIKeySJTBGVILVGWVSV-UHFFFAOYSA-N
XLogP3.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 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) is 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is SJTBGVILVGWVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS.ClH/c17-14-10-7-6-9(8-10)13(14)15(20)19-16-18-11-4-2-1-3-5-12(11)21-16;/h9-10,13-14H,1-8,17H2,(H,18,19,20);1H.
What are the key properties of 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 341.91 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119700438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).