N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine

C12H21N3OS — CID 55084364

IUPACN-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCOCCNC1(c2nccs2)CCN(C)CC1
InChIInChI=1S/C12H21N3OS/c1-15-7-3-12(4-8-15,14-5-9-16-2)11-13-6-10-17-11/h6,10,14H,3-5,7-9H2,1-2H3
InChIKeyHKUVHHJZCVAJBX-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.30
Rot. Bonds5

About N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine

N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 55084364) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID55084364
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCOCCNC1(c2nccs2)CCN(C)CC1
InChIInChI=1S/C12H21N3OS/c1-15-7-3-12(4-8-15,14-5-9-16-2)11-13-6-10-17-11/h6,10,14H,3-5,7-9H2,1-2H3
InChIKeyHKUVHHJZCVAJBX-UHFFFAOYSA-N
XLogP1.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one
CID 71866169
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
4-(1,3-Thiazol-2-yl)oxan-4-amine
CID 61330275
1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72129756
1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one
CID 96519867
ethyl 4-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
CID 97611339
N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755107
N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758236
2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 107470434
3-[2-Fluoro-2-methyl-3-(1,3-thiazol-2-yl)propyl]morpholine
CID 116011146
6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine
CID 116535758
N-(1,3-thiazol-2-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120445176

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine (CID 55084364) is N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine is COCCNC1(c2nccs2)CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is HKUVHHJZCVAJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-15-7-3-12(4-8-15,14-5-9-16-2)11-13-6-10-17-11/h6,10,14H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine has a molecular weight of 255.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 55084364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).