[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C9H13N3O2S — CID 66376431

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESNCc1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C9H13N3O2S/c10-5-8-11-7(6-15-8)9(13)12-1-3-14-4-2-12/h6H,1-5,10H2
InChIKeyVHIRPFNZCHMIMF-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.07
Rot. Bonds2

About [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 66376431) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID66376431
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESNCc1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C9H13N3O2S/c10-5-8-11-7(6-15-8)9(13)12-1-3-14-4-2-12/h6H,1-5,10H2
InChIKeyVHIRPFNZCHMIMF-UHFFFAOYSA-N
XLogP0.07
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(8-azaspiro[4.5]decan-8-yl)methanone
CID 66379254
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409151
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethenylpiperidin-1-yl)methanone
CID 119783247
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 119860162
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119704882
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 119708708
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119855927
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 119755496

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 66376431) is [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is NCc1nc(C(=O)N2CCOCC2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is VHIRPFNZCHMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-5-8-11-7(6-15-8)9(13)12-1-3-14-4-2-12/h6H,1-5,10H2.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 227.29 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 66376431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).