N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine

C12H20N2OS — CID 115087995

IUPACN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1csc(CC2CCOC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(13-2)5-11-8-16-12(14-11)6-10-3-4-15-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyKPRCTHCLTOQRMN-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.87
Rot. Bonds5

About N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine

N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 115087995) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID115087995
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1csc(CC2CCOC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(13-2)5-11-8-16-12(14-11)6-10-3-4-15-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyKPRCTHCLTOQRMN-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088010
1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088149
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089019
2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile
CID 103988046
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine
CID 115088841
methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
CID 103985943
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082353
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987689
[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361502

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine (CID 115087995) is N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine is CNC(C)Cc1csc(CC2CCOC2)n1.
What is the InChIKey of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is KPRCTHCLTOQRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(13-2)5-11-8-16-12(14-11)6-10-3-4-15-7-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 1.87, 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-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 115087995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).