[2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C15H26N4O2S — CID 11558917

IUPAC[2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)cs1
InChIInChI=1S/C15H26N4O2S/c1-12(2)18-5-7-19(8-6-18)15(20)13-11-22-14(17-13)10-16-4-9-21-3/h11-12,16H,4-10H2,1-3H3
InChIKeyUDTKKXJBAUFIGP-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.05
Rot. Bonds7

About [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11558917) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11558917
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name[2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)cs1
InChIInChI=1S/C15H26N4O2S/c1-12(2)18-5-7-19(8-6-18)15(20)13-11-22-14(17-13)10-16-4-9-21-3/h11-12,16H,4-10H2,1-3H3
InChIKeyUDTKKXJBAUFIGP-UHFFFAOYSA-N
XLogP1.05
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.05
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

(4-Isopropyl-piperazin-1-yl)-(2-morpholin-4-ylmethylthiazol-4-yl)-methanone
CID 11530172
2-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 50960786
Ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51087087
Ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51119730
[4-(2-Hydroxybutyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 53624902
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72933096
Methyl 4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-1-piperazinecarboxylate
CID 72937370
2-[[2-(Methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 75423120
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
FK 336
CID 129402
2-(2-hydroxyethoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 49792699
3-(2-{4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}-2-oxoethyl)morpholine
CID 56894005

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11558917) is [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is COCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)cs1.
What is the InChIKey of [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is UDTKKXJBAUFIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12(2)18-5-7-19(8-6-18)15(20)13-11-22-14(17-13)10-16-4-9-21-3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 326.47 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyethylamino)methyl]-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11558917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).