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

C14H18N4OS — CID 59411608

IUPACN-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NC[C@H]1NC[C@@H]2CCC[C@@H]21)c1cnc2sccn12
InChIInChI=1S/C14H18N4OS/c19-13(12-8-17-14-18(12)4-5-20-14)16-7-11-10-3-1-2-9(10)6-15-11/h4-5,8-11,15H,1-3,6-7H2,(H,16,19)/t9-,10-,11+/m0/s1
InChIKeyHMSBBDYIOJRENS-GARJFASQSA-N
MW290.39 g/mol
LogP1.51
Rot. Bonds3

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

N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 59411608) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID59411608
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NC[C@H]1NC[C@@H]2CCC[C@@H]21)c1cnc2sccn12
InChIInChI=1S/C14H18N4OS/c19-13(12-8-17-14-18(12)4-5-20-14)16-7-11-10-3-1-2-9(10)6-15-11/h4-5,8-11,15H,1-3,6-7H2,(H,16,19)/t9-,10-,11+/m0/s1
InChIKeyHMSBBDYIOJRENS-GARJFASQSA-N
XLogP1.51
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 59411608) is N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is O=C(NC[C@H]1NC[C@@H]2CCC[C@@H]21)c1cnc2sccn12.
What is the InChIKey of N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is HMSBBDYIOJRENS-GARJFASQSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-13(12-8-17-14-18(12)4-5-20-14)16-7-11-10-3-1-2-9(10)6-15-11/h4-5,8-11,15H,1-3,6-7H2,(H,16,19)/t9-,10-,11+/m0/s1.
What are the key properties of N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.51, 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)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 59411608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).