7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C23H26N2O2S2 — CID 55453746

IUPAC7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NC(c1ccc3c(c1)CCCC3)c1cccs1)CS2
InChIInChI=1S/C23H26N2O2S2/c1-23-11-10-20(26)25(23)18(14-29-23)22(27)24-21(19-7-4-12-28-19)17-9-8-15-5-2-3-6-16(15)13-17/h4,7-9,12-13,18,21H,2-3,5-6,10-11,14H2,1H3,(H,24,27)
InChIKeyYXDBWXQWAFYARA-UHFFFAOYSA-N
MW426.61 g/mol
LogP4.29
Rot. Bonds4

About 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 55453746) has the molecular formula C23H26N2O2S2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID55453746
Molecular FormulaC23H26N2O2S2
Molecular Weight426.61 g/mol
Exact Mass426.14
IUPAC Name7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NC(c1ccc3c(c1)CCCC3)c1cccs1)CS2
InChIInChI=1S/C23H26N2O2S2/c1-23-11-10-20(26)25(23)18(14-29-23)22(27)24-21(19-7-4-12-28-19)17-9-8-15-5-2-3-6-16(15)13-17/h4,7-9,12-13,18,21H,2-3,5-6,10-11,14H2,1H3,(H,24,27)
InChIKeyYXDBWXQWAFYARA-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
(3S,7aR)-7a-methyl-5-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 8780782
7a-methyl-5-oxo-N-(1-pyridin-4-ylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 78775666
N-[(4-ethoxyphenyl)-phenylmethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55674554
(3R,7aR)-7a-methyl-5-oxo-N-(2-thiophen-2-ylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 33119838
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31710027
(3S,7aR)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 124840822
N-(1,2-diphenylethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 43022082
(3S,7aS)-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 100909551
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 7822588
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24553086

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 55453746) is 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)NC(c1ccc3c(c1)CCCC3)c1cccs1)CS2.
What is the InChIKey of 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is YXDBWXQWAFYARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S2/c1-23-11-10-20(26)25(23)18(14-29-23)22(27)24-21(19-7-4-12-28-19)17-9-8-15-5-2-3-6-16(15)13-17/h4,7-9,12-13,18,21H,2-3,5-6,10-11,14H2,1H3,(H,24,27).
What are the key properties of 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 426.61 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 55453746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).