2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C13H21N3OS — CID 113399548

IUPAC2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCNc1ncc(CN2CC3CCC(O)C3C2)s1
InChIInChI=1S/C13H21N3OS/c1-2-14-13-15-5-10(18-13)7-16-6-9-3-4-12(17)11(9)8-16/h5,9,11-12,17H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyCSKWSQHMLRMWLK-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.78
Rot. Bonds4

About 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 113399548) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID113399548
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCNc1ncc(CN2CC3CCC(O)C3C2)s1
InChIInChI=1S/C13H21N3OS/c1-2-14-13-15-5-10(18-13)7-16-6-9-3-4-12(17)11(9)8-16/h5,9,11-12,17H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyCSKWSQHMLRMWLK-UHFFFAOYSA-N
XLogP1.78
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772211
2-[(5-ethylthiophen-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399482
N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine
CID 79774443
5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79772417
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772491
1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106673960
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771395
2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103056819
methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
CID 79771450
1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol
CID 106837645
N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine
CID 79934751
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one
CID 104512655

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 113399548) is 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is CCNc1ncc(CN2CC3CCC(O)C3C2)s1.
What is the InChIKey of 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is CSKWSQHMLRMWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-14-13-15-5-10(18-13)7-16-6-9-3-4-12(17)11(9)8-16/h5,9,11-12,17H,2-4,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 267.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 113399548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).