(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone

C19H25N3O2S — CID 95872962

IUPAC(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCCc1nc(N)sc1C(=O)N1CCC[C@@H](COc2cccc(C)c2)C1
InChIInChI=1S/C19H25N3O2S/c1-3-16-17(25-19(20)21-16)18(23)22-9-5-7-14(11-22)12-24-15-8-4-6-13(2)10-15/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H2,20,21)/t14-/m1/s1
InChIKeyAEFLWMAONFRFQM-CQSZACIVSA-N
MW359.50 g/mol
LogP3.53
Rot. Bonds5

About (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone

(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 95872962) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
PubChem CID95872962
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCCc1nc(N)sc1C(=O)N1CCC[C@@H](COc2cccc(C)c2)C1
InChIInChI=1S/C19H25N3O2S/c1-3-16-17(25-19(20)21-16)18(23)22-9-5-7-14(11-22)12-24-15-8-4-6-13(2)10-15/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H2,20,21)/t14-/m1/s1
InChIKeyAEFLWMAONFRFQM-CQSZACIVSA-N
XLogP3.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 95867203
[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
CID 119068422
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 70730374
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110638509
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 70777552
3-[(3R)-3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 51586625
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
6-methyl-5-[3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 70782735
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70741775

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone (CID 95872962) is (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone is CCc1nc(N)sc1C(=O)N1CCC[C@@H](COc2cccc(C)c2)C1.
What is the InChIKey of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is AEFLWMAONFRFQM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-16-17(25-19(20)21-16)18(23)22-9-5-7-14(11-22)12-24-15-8-4-6-13(2)10-15/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H2,20,21)/t14-/m1/s1.
What are the key properties of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone?
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 359.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95872962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).