N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C15H24N4OS — CID 71986290

IUPACN-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCc1cnc(NC(=O)N2CCC3CCC(C2)N3C(C)C)s1
InChIInChI=1S/C15H24N4OS/c1-10(2)19-12-4-5-13(19)9-18(7-6-12)15(20)17-14-16-8-11(3)21-14/h8,10,12-13H,4-7,9H2,1-3H3,(H,16,17,20)
InChIKeyJFPKMBMJTFUGHO-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.93
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 71986290) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID71986290
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCc1cnc(NC(=O)N2CCC3CCC(C2)N3C(C)C)s1
InChIInChI=1S/C15H24N4OS/c1-10(2)19-12-4-5-13(19)9-18(7-6-12)15(20)17-14-16-8-11(3)21-14/h8,10,12-13H,4-7,9H2,1-3H3,(H,16,17,20)
InChIKeyJFPKMBMJTFUGHO-UHFFFAOYSA-N
XLogP2.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 71986290) is N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is Cc1cnc(NC(=O)N2CCC3CCC(C2)N3C(C)C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is JFPKMBMJTFUGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-10(2)19-12-4-5-13(19)9-18(7-6-12)15(20)17-14-16-8-11(3)21-14/h8,10,12-13H,4-7,9H2,1-3H3,(H,16,17,20).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 71986290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).