[(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

C19H24N4OS — CID 89043800

IUPAC[(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
SMILESCc1ccc(-c2sc(N)nc2C(=O)N2[C@H](CN)C[C@@H]3CCC[C@@H]32)cc1
InChIInChI=1S/C19H24N4OS/c1-11-5-7-12(8-6-11)17-16(22-19(21)25-17)18(24)23-14(10-20)9-13-3-2-4-15(13)23/h5-8,13-15H,2-4,9-10,20H2,1H3,(H2,21,22)/t13-,14-,15-/m0/s1
InChIKeyALHDZFCAPBJRLC-KKUMJFAQSA-N
MW356.50 g/mol
LogP3.04
Rot. Bonds3

About [(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

[(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 (PubChem CID 89043800) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID89043800
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name[(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
SMILESCc1ccc(-c2sc(N)nc2C(=O)N2[C@H](CN)C[C@@H]3CCC[C@@H]32)cc1
InChIInChI=1S/C19H24N4OS/c1-11-5-7-12(8-6-11)17-16(22-19(21)25-17)18(24)23-14(10-20)9-13-3-2-4-15(13)23/h5-8,13-15H,2-4,9-10,20H2,1H3,(H2,21,22)/t13-,14-,15-/m0/s1
InChIKeyALHDZFCAPBJRLC-KKUMJFAQSA-N
XLogP3.04
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(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 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]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 68565508
(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-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67081101
[(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
[(1S,3R,4R)-3-(aminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 67286400
N-[[(3S,5S)-2-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-bromobenzamide
CID 87261127
[2-amino-5-(3-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone;2,2-difluoro-1,3-benzodioxole-4-carboxylic acid
CID 162622590
2-[[(1S,3S,5S)-2-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]quinoline-8-carboxamide
CID 159444158
[2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-amino-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 76542730
[2-(aminomethyl)azetidin-1-yl]-[5-(4-ethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67018323
N-[[(1S,3S,5S)-2-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,2-benzoxazole-3-carboxamide
CID 87261167
(2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone
CID 155961272

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]-[2-amino-5-(4-methylphenyl)-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]-[2-amino-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone (CID 89043800) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1ccc(-c2sc(N)nc2C(=O)N2[C@H](CN)C[C@@H]3CCC[C@@H]32)cc1.
What is the InChIKey of [(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?
The InChIKey is ALHDZFCAPBJRLC-KKUMJFAQSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-11-5-7-12(8-6-11)17-16(22-19(21)25-17)18(24)23-14(10-20)9-13-3-2-4-15(13)23/h5-8,13-15H,2-4,9-10,20H2,1H3,(H2,21,22)/t13-,14-,15-/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]-[2-amino-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone?
[(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 has a molecular weight of 356.50 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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]-[2-amino-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 89043800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).