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

C15H25Cl2N3OS — CID 119891748

IUPAC3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCc1nc(CCNC(=O)C2C3CCC(C3)C2N)sc1C.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-8-9(2)20-12(18-8)5-6-17-15(19)13-10-3-4-11(7-10)14(13)16;;/h10-11,13-14H,3-7,16H2,1-2H3,(H,17,19);2*1H
InChIKeyPKTIYPRUHQIEJN-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.64
Rot. Bonds4

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

3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119891748) has the molecular formula C15H25Cl2N3OS and a molecular weight of 366.36 g/mol. Its IUPAC name is 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119891748
Molecular FormulaC15H25Cl2N3OS
Molecular Weight366.36 g/mol
Exact Mass365.11
IUPAC Name3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCc1nc(CCNC(=O)C2C3CCC(C3)C2N)sc1C.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-8-9(2)20-12(18-8)5-6-17-15(19)13-10-3-4-11(7-10)14(13)16;;/h10-11,13-14H,3-7,16H2,1-2H3,(H,17,19);2*1H
InChIKeyPKTIYPRUHQIEJN-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119891748) is 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cc1nc(CCNC(=O)C2C3CCC(C3)C2N)sc1C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is PKTIYPRUHQIEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.2ClH/c1-8-9(2)20-12(18-8)5-6-17-15(19)13-10-3-4-11(7-10)14(13)16;;/h10-11,13-14H,3-7,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 366.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119891748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).