N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide

C13H19N3OS — CID 18599023

IUPACN-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)C[C@@H]1[C@H](CCCN1C)C2
InChIInChI=1S/C13H19N3OS/c1-8(17)14-13-15-10-6-9-4-3-5-16(2)11(9)7-12(10)18-13/h9,11H,3-7H2,1-2H3,(H,14,15,17)/t9-,11-/m1/s1
InChIKeyVDBVFIHDWRLQGS-MWLCHTKSSA-N
MW265.38 g/mol
LogP1.91
Rot. Bonds1

About N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide

N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide (PubChem CID 18599023) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide
PubChem CID18599023
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)C[C@@H]1[C@H](CCCN1C)C2
InChIInChI=1S/C13H19N3OS/c1-8(17)14-13-15-10-6-9-4-3-5-16(2)11(9)7-12(10)18-13/h9,11H,3-7H2,1-2H3,(H,14,15,17)/t9-,11-/m1/s1
InChIKeyVDBVFIHDWRLQGS-MWLCHTKSSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide with MolForge

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Related Compounds

(4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine
CID 18599020
N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
(4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride
CID 88521592
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 87189954
methyl 2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 11637431
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
(4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride
CID 67935585
(4aR,8aR)-2-bromo-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;hydrochloride
CID 67935523
1-acetyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 110246357
N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90524974
(2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid
CID 87189958
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 47199587

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide?
The IUPAC name of N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide (CID 18599023) is N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide.
What is the SMILES notation for N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide?
The canonical SMILES for N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide is CC(=O)Nc1nc2c(s1)C[C@@H]1[C@H](CCCN1C)C2.
What is the InChIKey of N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide?
The InChIKey is VDBVFIHDWRLQGS-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8(17)14-13-15-10-6-9-4-3-5-16(2)11(9)7-12(10)18-13/h9,11H,3-7H2,1-2H3,(H,14,15,17)/t9-,11-/m1/s1.
What are the key properties of N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide?
N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide has a molecular weight of 265.38 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-yl]acetamide is sourced from PubChem (CID 18599023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).