[(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C12H17N3OS — CID 124617708

IUPAC[(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1C[C@@H]2CC[C@H](N)[C@@H]2C1
InChIInChI=1S/C12H17N3OS/c1-7-11(17-6-14-7)12(16)15-4-8-2-3-10(13)9(8)5-15/h6,8-10H,2-5,13H2,1H3/t8-,9+,10-/m0/s1
InChIKeyAXEQUSCPSYJJOK-AEJSXWLSSA-N
MW251.35 g/mol
LogP1.26
Rot. Bonds1

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

[(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 124617708) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID124617708
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1C[C@@H]2CC[C@H](N)[C@@H]2C1
InChIInChI=1S/C12H17N3OS/c1-7-11(17-6-14-7)12(16)15-4-8-2-3-10(13)9(8)5-15/h6,8-10H,2-5,13H2,1H3/t8-,9+,10-/m0/s1
InChIKeyAXEQUSCPSYJJOK-AEJSXWLSSA-N
XLogP1.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103575811
[(3aS,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylthiophen-2-yl)methanone
CID 99777594
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 80553761
4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide
CID 61130893
(3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 121200546
[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56818176
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 54885904
2-(4-methyl-1,3-thiazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891144
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900922
(6S)-1-methyl-4-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124956759

Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 124617708) is [(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1C[C@@H]2CC[C@H](N)[C@@H]2C1.
What is the InChIKey of [(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is AXEQUSCPSYJJOK-AEJSXWLSSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-11(17-6-14-7)12(16)15-4-8-2-3-10(13)9(8)5-15/h6,8-10H,2-5,13H2,1H3/t8-,9+,10-/m0/s1.
What are the key properties of [(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 251.35 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124617708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).