(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C11H17N3O2S — CID 63977856

IUPAC(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2csc(N)n2)CC1
InChIInChI=1S/C11H17N3O2S/c1-16-6-8-2-4-14(5-3-8)10(15)9-7-17-11(12)13-9/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyXPODONSWBQZAES-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.22
Rot. Bonds3

About (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 63977856) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID63977856
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2csc(N)n2)CC1
InChIInChI=1S/C11H17N3O2S/c1-16-6-8-2-4-14(5-3-8)10(15)9-7-17-11(12)13-9/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyXPODONSWBQZAES-UHFFFAOYSA-N
XLogP1.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 66389375
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 113402195
(2-amino-1,3-thiazol-4-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 62788073
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979394
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
(2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 125171855

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 63977856) is (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2csc(N)n2)CC1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is XPODONSWBQZAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-6-8-2-4-14(5-3-8)10(15)9-7-17-11(12)13-9/h7-8H,2-6H2,1H3,(H2,12,13).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 255.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63977856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).