4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine

C13H23N3OS — CID 66256967

IUPAC4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(C)Cc1cscn1
InChIInChI=1S/C13H23N3OS/c1-3-4-14-13-8-17-7-11(13)5-16(2)6-12-9-18-10-15-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyOYABHYGYILKHKF-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.59
Rot. Bonds7

About 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine

4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine (PubChem CID 66256967) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine
PubChem CID66256967
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(C)Cc1cscn1
InChIInChI=1S/C13H23N3OS/c1-3-4-14-13-8-17-7-11(13)5-16(2)6-12-9-18-10-15-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyOYABHYGYILKHKF-UHFFFAOYSA-N
XLogP1.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62609438
4-(diethylaminomethyl)-N-propyloxolan-3-amine
CID 66256952
2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 79849133
N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391838
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine
CID 66255632
4-[[cyclopropyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256381
N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62553676
2,3-dimethyl-N-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 79406175
N-cyclopropyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 62427015
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
4-[[cyclopentyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66254473

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine (CID 66256967) is 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine is CCCNC1COCC1CN(C)Cc1cscn1.
What is the InChIKey of 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine?
The InChIKey is OYABHYGYILKHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-4-14-13-8-17-7-11(13)5-16(2)6-12-9-18-10-15-12/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine?
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine has a molecular weight of 269.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66256967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).