N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine

C12H20N2OS — CID 115090839

IUPACN-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(CC2CCCO2)s1
InChIInChI=1S/C12H20N2OS/c1-9(13-2)6-11-8-14-12(16-11)7-10-4-3-5-15-10/h8-10,13H,3-7H2,1-2H3
InChIKeyMPUNDONYWVNAEF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine

N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115090839) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115090839
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(CC2CCCO2)s1
InChIInChI=1S/C12H20N2OS/c1-9(13-2)6-11-8-14-12(16-11)7-10-4-3-5-15-10/h8-10,13H,3-7H2,1-2H3
InChIKeyMPUNDONYWVNAEF-UHFFFAOYSA-N
XLogP2.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090865
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089845
1-[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-2-amine
CID 62756821
2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090950
N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090699
N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089837
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
3-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 115091042
2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369670
1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115089834
N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086199

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine (CID 115090839) is N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine is CNC(C)Cc1cnc(CC2CCCO2)s1.
What is the InChIKey of N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is MPUNDONYWVNAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(13-2)6-11-8-14-12(16-11)7-10-4-3-5-15-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115090839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).