[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C22H30N6O2S — CID 110085274

IUPAC[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCNc1nc(C)c(C(=O)N2CCC(c3ccc(C(=O)N4CCCC4)c(N)n3)CC2)s1
InChIInChI=1S/C22H30N6O2S/c1-3-24-22-25-14(2)18(31-22)21(30)28-12-8-15(9-13-28)17-7-6-16(19(23)26-17)20(29)27-10-4-5-11-27/h6-7,15H,3-5,8-13H2,1-2H3,(H2,23,26)(H,24,25)
InChIKeyWQEUDUZWZKVNNJ-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.12
Rot. Bonds5

About [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 110085274) has the molecular formula C22H30N6O2S and a molecular weight of 442.59 g/mol. Its IUPAC name is [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID110085274
Molecular FormulaC22H30N6O2S
Molecular Weight442.59 g/mol
Exact Mass442.22
IUPAC Name[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCNc1nc(C)c(C(=O)N2CCC(c3ccc(C(=O)N4CCCC4)c(N)n3)CC2)s1
InChIInChI=1S/C22H30N6O2S/c1-3-24-22-25-14(2)18(31-22)21(30)28-12-8-15(9-13-28)17-7-6-16(19(23)26-17)20(29)27-10-4-5-11-27/h6-7,15H,3-5,8-13H2,1-2H3,(H2,23,26)(H,24,25)
InChIKeyWQEUDUZWZKVNNJ-UHFFFAOYSA-N
XLogP3.12
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[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
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 116668333
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670409
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 110119620
(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97137582
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]methanone
CID 118787336
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 116671004
2-[1-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]benzoic acid
CID 56912530

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 110085274) is [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is CCNc1nc(C)c(C(=O)N2CCC(c3ccc(C(=O)N4CCCC4)c(N)n3)CC2)s1.
What is the InChIKey of [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WQEUDUZWZKVNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2S/c1-3-24-22-25-14(2)18(31-22)21(30)28-12-8-15(9-13-28)17-7-6-16(19(23)26-17)20(29)27-10-4-5-11-27/h6-7,15H,3-5,8-13H2,1-2H3,(H2,23,26)(H,24,25).
What are the key properties of [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 442.59 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110085274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).