N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C15H20N4OS — CID 59411605

IUPACN-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC1C[C@H]2CN[C@H](CNC(=O)c3cn4ccsc4n3)[C@H]2C1
InChIInChI=1S/C15H20N4OS/c1-9-4-10-6-16-12(11(10)5-9)7-17-14(20)13-8-19-2-3-21-15(19)18-13/h2-3,8-12,16H,4-7H2,1H3,(H,17,20)/t9?,10-,11-,12+/m0/s1
InChIKeyADJXCKYUVPWTRR-HSTDOPHLSA-N
MW304.42 g/mol
LogP1.76
Rot. Bonds3

About N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 59411605) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID59411605
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC1C[C@H]2CN[C@H](CNC(=O)c3cn4ccsc4n3)[C@H]2C1
InChIInChI=1S/C15H20N4OS/c1-9-4-10-6-16-12(11(10)5-9)7-17-14(20)13-8-19-2-3-21-15(19)18-13/h2-3,8-12,16H,4-7H2,1H3,(H,17,20)/t9?,10-,11-,12+/m0/s1
InChIKeyADJXCKYUVPWTRR-HSTDOPHLSA-N
XLogP1.76
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide 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 N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 59411605) is N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is CC1C[C@H]2CN[C@H](CNC(=O)c3cn4ccsc4n3)[C@H]2C1.
What is the InChIKey of N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is ADJXCKYUVPWTRR-HSTDOPHLSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-4-10-6-16-12(11(10)5-9)7-17-14(20)13-8-19-2-3-21-15(19)18-13/h2-3,8-12,16H,4-7H2,1H3,(H,17,20)/t9?,10-,11-,12+/m0/s1.
What are the key properties of N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 59411605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).