[2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C22H28N6OS — CID 92640013

IUPAC[2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2sccn2c1CN1CCC(c2ccc(C(=O)N3CCCC3)c(N)n2)CC1
InChIInChI=1S/C22H28N6OS/c1-15-19(28-12-13-30-22(28)24-15)14-26-10-6-16(7-11-26)18-5-4-17(20(23)25-18)21(29)27-8-2-3-9-27/h4-5,12-13,16H,2-3,6-11,14H2,1H3,(H2,23,25)
InChIKeyLGEPNSONVSRSBD-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.30
Rot. Bonds4

About [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 92640013) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID92640013
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name[2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2sccn2c1CN1CCC(c2ccc(C(=O)N3CCCC3)c(N)n2)CC1
InChIInChI=1S/C22H28N6OS/c1-15-19(28-12-13-30-22(28)24-15)14-26-10-6-16(7-11-26)18-5-4-17(20(23)25-18)21(29)27-8-2-3-9-27/h4-5,12-13,16H,2-3,6-11,14H2,1H3,(H2,23,25)
InChIKeyLGEPNSONVSRSBD-UHFFFAOYSA-N
XLogP3.30
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 110085274
(2-methoxyphenyl)-[4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 56902651
[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45182768
[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45178972
piperidin-1-yl-[5-(thiomorpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31005446
[5-[(3-hydroxypiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 56878530
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171
azocan-1-yl-[5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42291044
(5S)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124967123
(5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124967124
methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 75497441
1-[(3aR,8aR)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-1-yl]ethanone
CID 110136278

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 92640013) is [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1nc2sccn2c1CN1CCC(c2ccc(C(=O)N3CCCC3)c(N)n2)CC1.
What is the InChIKey of [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LGEPNSONVSRSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-15-19(28-12-13-30-22(28)24-15)14-26-10-6-16(7-11-26)18-5-4-17(20(23)25-18)21(29)27-8-2-3-9-27/h4-5,12-13,16H,2-3,6-11,14H2,1H3,(H2,23,25).
What are the key properties of [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 424.57 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 92640013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).