[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C11H17N3O2S — CID 107220250

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C11H17N3O2S/c1-7(2)11(16)5-14(6-11)10(15)8-4-17-9(3-12)13-8/h4,7,16H,3,5-6,12H2,1-2H3
InChIKeyWETXNUPDZWFEEL-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.44
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 107220250) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID107220250
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C11H17N3O2S/c1-7(2)11(16)5-14(6-11)10(15)8-4-17-9(3-12)13-8/h4,7,16H,3,5-6,12H2,1-2H3
InChIKeyWETXNUPDZWFEEL-UHFFFAOYSA-N
XLogP0.44
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 66378865
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(aminomethyl)-1,3-thiazol-4-yl]-(8-azaspiro[4.5]decan-8-yl)methanone
CID 66379254
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-methylpropanamide
CID 66377271
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409151
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807837
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66379843
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 119807836
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 119708708

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 107220250) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is CC(C)C1(O)CN(C(=O)c2csc(CN)n2)C1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is WETXNUPDZWFEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(2)11(16)5-14(6-11)10(15)8-4-17-9(3-12)13-8/h4,7,16H,3,5-6,12H2,1-2H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 255.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 107220250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).