5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

C11H19N3OS — CID 82754917

IUPAC5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C2CCOC2)sc1CN
InChIInChI=1S/C11H19N3OS/c1-3-9-10(6-12)16-11(13-9)14(2)8-4-5-15-7-8/h8H,3-7,12H2,1-2H3
InChIKeyJLLLKAUKRLOFAD-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.39
Rot. Bonds4

About 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 82754917) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID82754917
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C2CCOC2)sc1CN
InChIInChI=1S/C11H19N3OS/c1-3-9-10(6-12)16-11(13-9)14(2)8-4-5-15-7-8/h8H,3-7,12H2,1-2H3
InChIKeyJLLLKAUKRLOFAD-UHFFFAOYSA-N
XLogP1.39
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753856
5-(aminomethyl)-4-ethyl-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62769176
5-(aminomethyl)-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766909
4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82745215
5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62768827
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxolan-3-yl)pyridazin-3-amine
CID 82732973
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 107510654
5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62854241
ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 116527049
5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510221
2-N,5,5-trimethyl-2-N-(oxolan-3-yl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 82754821
5-[methyl(oxolan-3-yl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 82749299

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 82754917) is 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is CCc1nc(N(C)C2CCOC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is JLLLKAUKRLOFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-9-10(6-12)16-11(13-9)14(2)8-4-5-15-7-8/h8H,3-7,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82754917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).