[(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone

C21H27N3OS — CID 68565508

IUPAC[(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2[C@H](CN)C[C@@H]3CCC[C@@H]32)c(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C21H27N3OS/c1-12-7-8-16(9-13(12)2)20-19(23-14(3)26-20)21(25)24-17(11-22)10-15-5-4-6-18(15)24/h7-9,15,17-18H,4-6,10-11,22H2,1-3H3/t15-,17-,18-/m0/s1
InChIKeyDEODLGXLJHXHSK-SZMVWBNQSA-N
MW369.53 g/mol
LogP4.08
Rot. Bonds3

About [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone

[(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 68565508) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
PubChem CID68565508
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name[(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2[C@H](CN)C[C@@H]3CCC[C@@H]32)c(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C21H27N3OS/c1-12-7-8-16(9-13(12)2)20-19(23-14(3)26-20)21(25)24-17(11-22)10-15-5-4-6-18(15)24/h7-9,15,17-18H,4-6,10-11,22H2,1-3H3/t15-,17-,18-/m0/s1
InChIKeyDEODLGXLJHXHSK-SZMVWBNQSA-N
XLogP4.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

[(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[2-amino-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 89043800
[(4R)-4-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 68592798
[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67081101
(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 67081380
(2S,3aS,6aS)-1-[5-(4-bromophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 68569244
[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-[5-(3-fluoro-2-methylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67081765
2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 150433677
(1R,4S,5S)-3-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-4-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 173104952
[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone;1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 171924824
[2-(aminomethyl)azetidin-1-yl]-[5-(4-ethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67018323
N-[[(2S,3aS,6aS)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 25147776
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118426768

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone (CID 68565508) is [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone is Cc1nc(C(=O)N2[C@H](CN)C[C@@H]3CCC[C@@H]32)c(-c2ccc(C)c(C)c2)s1.
What is the InChIKey of [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is DEODLGXLJHXHSK-SZMVWBNQSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-12-7-8-16(9-13(12)2)20-19(23-14(3)26-20)21(25)24-17(11-22)10-15-5-4-6-18(15)24/h7-9,15,17-18H,4-6,10-11,22H2,1-3H3/t15-,17-,18-/m0/s1.
What are the key properties of [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
[(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 369.53 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,6aS)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 68565508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).