[1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone

C18H28N4O3S — CID 42813439

IUPAC[1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESCCCCNc1nc(C(=O)N2CCCCC2C(=O)N2CCOCC2)cs1
InChIInChI=1S/C18H28N4O3S/c1-2-3-7-19-18-20-14(13-26-18)16(23)22-8-5-4-6-15(22)17(24)21-9-11-25-12-10-21/h13,15H,2-12H2,1H3,(H,19,20)
InChIKeyUGXBMIJGHCEZFA-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.21
Rot. Bonds6

About [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone

[1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 42813439) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone
PubChem CID42813439
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name[1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESCCCCNc1nc(C(=O)N2CCCCC2C(=O)N2CCOCC2)cs1
InChIInChI=1S/C18H28N4O3S/c1-2-3-7-19-18-20-14(13-26-18)16(23)22-8-5-4-6-15(22)17(24)21-9-11-25-12-10-21/h13,15H,2-12H2,1H3,(H,19,20)
InChIKeyUGXBMIJGHCEZFA-UHFFFAOYSA-N
XLogP2.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 42813693
1-[2-(butylamino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 42813442
[1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 42814263
(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 66264126
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 70750085
[1-(furan-3-carbonyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 4089666
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 43623809
[(2S)-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 95619677
[1-[4-(methoxymethyl)benzoyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522845
[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 70739483
2-(pentylamino)-1,3-thiazole-4-carboxamide
CID 69456979

Frequently Asked Questions

What is the IUPAC name of [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone (CID 42813439) is [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone is CCCCNc1nc(C(=O)N2CCCCC2C(=O)N2CCOCC2)cs1.
What is the InChIKey of [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is UGXBMIJGHCEZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-2-3-7-19-18-20-14(13-26-18)16(23)22-8-5-4-6-15(22)17(24)21-9-11-25-12-10-21/h13,15H,2-12H2,1H3,(H,19,20).
What are the key properties of [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone?
[1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 380.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42813439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).