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

C15H22N2OS — CID 75389079

IUPACN-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cnc(CCN(C)C(=O)C2CC3CCC2C3)s1
InChIInChI=1S/C15H22N2OS/c1-10-9-16-14(19-10)5-6-17(2)15(18)13-8-11-3-4-12(13)7-11/h9,11-13H,3-8H2,1-2H3
InChIKeyLNVMJUAPSCVRKP-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.89
Rot. Bonds4

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

N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 75389079) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID75389079
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cnc(CCN(C)C(=O)C2CC3CCC2C3)s1
InChIInChI=1S/C15H22N2OS/c1-10-9-16-14(19-10)5-6-17(2)15(18)13-8-11-3-4-12(13)7-11/h9,11-13H,3-8H2,1-2H3
InChIKeyLNVMJUAPSCVRKP-UHFFFAOYSA-N
XLogP2.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 75389079) is N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1cnc(CCN(C)C(=O)C2CC3CCC2C3)s1.
What is the InChIKey of N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LNVMJUAPSCVRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-9-16-14(19-10)5-6-17(2)15(18)13-8-11-3-4-12(13)7-11/h9,11-13H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 75389079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).