(3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol

C20H24N4OS — CID 92562406

IUPAC(3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
SMILESCc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3c(C)nc4sccn34)C[C@H]21
InChIInChI=1S/C20H24N4OS/c1-13-4-3-7-21-18(13)20(25)6-5-15-10-23(11-16(15)20)12-17-14(2)22-19-24(17)8-9-26-19/h3-4,7-9,15-16,25H,5-6,10-12H2,1-2H3/t15-,16+,20-/m0/s1
InChIKeyNKCMBOHXPKPSCW-YRNRMSPPSA-N
MW368.51 g/mol
LogP3.14
Rot. Bonds3

About (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol

(3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol (PubChem CID 92562406) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name(3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
PubChem CID92562406
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name(3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
SMILESCc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3c(C)nc4sccn34)C[C@H]21
InChIInChI=1S/C20H24N4OS/c1-13-4-3-7-21-18(13)20(25)6-5-15-10-23(11-16(15)20)12-17-14(2)22-19-24(17)8-9-26-19/h3-4,7-9,15-16,25H,5-6,10-12H2,1-2H3/t15-,16+,20-/m0/s1
InChIKeyNKCMBOHXPKPSCW-YRNRMSPPSA-N
XLogP3.14
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
The IUPAC name of (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol (CID 92562406) is (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
The canonical SMILES for (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol is Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3c(C)nc4sccn34)C[C@H]21.
What is the InChIKey of (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
The InChIKey is NKCMBOHXPKPSCW-YRNRMSPPSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-13-4-3-7-21-18(13)20(25)6-5-15-10-23(11-16(15)20)12-17-14(2)22-19-24(17)8-9-26-19/h3-4,7-9,15-16,25H,5-6,10-12H2,1-2H3/t15-,16+,20-/m0/s1.
What are the key properties of (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
(3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol has a molecular weight of 368.51 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6aR)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(3-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 92562406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).