N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide

C20H20N6O2S2 — CID 167771091

IUPACN-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NC2CC3CN(C(=O)c4cn5ccnc5s4)CC3C2)sc2cncn12
InChIInChI=1S/C20H20N6O2S2/c1-11-17(30-16-6-21-10-26(11)16)18(27)23-14-4-12-7-25(8-13(12)5-14)19(28)15-9-24-3-2-22-20(24)29-15/h2-3,6,9-10,12-14H,4-5,7-8H2,1H3,(H,23,27)
InChIKeyRIKICVIOYCDGOD-UHFFFAOYSA-N
MW440.55 g/mol
LogP2.69
Rot. Bonds3

About N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide

N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide (PubChem CID 167771091) has the molecular formula C20H20N6O2S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide
PubChem CID167771091
Molecular FormulaC20H20N6O2S2
Molecular Weight440.55 g/mol
Exact Mass440.11
IUPAC NameN-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NC2CC3CN(C(=O)c4cn5ccnc5s4)CC3C2)sc2cncn12
InChIInChI=1S/C20H20N6O2S2/c1-11-17(30-16-6-21-10-26(11)16)18(27)23-14-4-12-7-25(8-13(12)5-14)19(28)15-9-24-3-2-22-20(24)29-15/h2-3,6,9-10,12-14H,4-5,7-8H2,1H3,(H,23,27)
InChIKeyRIKICVIOYCDGOD-UHFFFAOYSA-N
XLogP2.69
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide (CID 167771091) is N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NC2CC3CN(C(=O)c4cn5ccnc5s4)CC3C2)sc2cncn12.
What is the InChIKey of N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is RIKICVIOYCDGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S2/c1-11-17(30-16-6-21-10-26(11)16)18(27)23-14-4-12-7-25(8-13(12)5-14)19(28)15-9-24-3-2-22-20(24)29-15/h2-3,6,9-10,12-14H,4-5,7-8H2,1H3,(H,23,27).
What are the key properties of N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide?
N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(imidazo[2,1-b][1,3]thiazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 167771091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).