N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine

C12H20N2OS — CID 105014941

IUPACN-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1nccs1
InChIInChI=1S/C12H20N2OS/c1-13-10(9-12-14-6-8-16-12)4-5-11-3-2-7-15-11/h6,8,10-11,13H,2-5,7,9H2,1H3
InChIKeyDLYYZOSAHSVQDJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.23
Rot. Bonds6

About N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine

N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 105014941) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID105014941
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1nccs1
InChIInChI=1S/C12H20N2OS/c1-13-10(9-12-14-6-8-16-12)4-5-11-3-2-7-15-11/h6,8,10-11,13H,2-5,7,9H2,1H3
InChIKeyDLYYZOSAHSVQDJ-UHFFFAOYSA-N
XLogP2.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105025317
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999928
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105002584
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 115786489
3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65161041

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine (CID 105014941) is N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine is CNC(CCC1CCCO1)Cc1nccs1.
What is the InChIKey of N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is DLYYZOSAHSVQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-13-10(9-12-14-6-8-16-12)4-5-11-3-2-7-15-11/h6,8,10-11,13H,2-5,7,9H2,1H3.
What are the key properties of N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine?
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 105014941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).