1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone

C16H24N2OS — CID 79364184

IUPAC1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H24N2OS/c1-9-12(10(2)19)13(20-18-9)17-14-15(3,4)11-6-7-16(14,5)8-11/h11,14,17H,6-8H2,1-5H3
InChIKeyMSISJSSMNXHKMG-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.28
Rot. Bonds3

About 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79364184) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone
PubChem CID79364184
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H24N2OS/c1-9-12(10(2)19)13(20-18-9)17-14-15(3,4)11-6-7-16(14,5)8-11/h11,14,17H,6-8H2,1-5H3
InChIKeyMSISJSSMNXHKMG-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone (CID 79364184) is 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is MSISJSSMNXHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-9-12(10(2)19)13(20-18-9)17-14-15(3,4)11-6-7-16(14,5)8-11/h11,14,17H,6-8H2,1-5H3.
What are the key properties of 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 292.45 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79364184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).