7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C18H22N2O2S — CID 4803565

IUPAC7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NC1CCCc3ccccc31)CS2
InChIInChI=1S/C18H22N2O2S/c1-18-10-9-16(21)20(18)15(11-23-18)17(22)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,14-15H,4,6,8-11H2,1H3,(H,19,22)
InChIKeyCJBRIGSXMAXRFJ-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.63
Rot. Bonds2

About 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 4803565) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID4803565
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NC1CCCc3ccccc31)CS2
InChIInChI=1S/C18H22N2O2S/c1-18-10-9-16(21)20(18)15(11-23-18)17(22)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,14-15H,4,6,8-11H2,1H3,(H,19,22)
InChIKeyCJBRIGSXMAXRFJ-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 4803565) is 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)NC1CCCc3ccccc31)CS2.
What is the InChIKey of 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is CJBRIGSXMAXRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-18-10-9-16(21)20(18)15(11-23-18)17(22)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,14-15H,4,6,8-11H2,1H3,(H,19,22).
What are the key properties of 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 4803565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).