1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine

C12H20N2OS — CID 115088149

IUPAC1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)Cc1csc(CC2CCOCC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(13)6-11-8-16-12(14-11)7-10-2-4-15-5-3-10/h8-10H,2-7,13H2,1H3
InChIKeyBNUMKUPVCDIPPW-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.00
Rot. Bonds4

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

1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 115088149) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID115088149
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)Cc1csc(CC2CCOCC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(13)6-11-8-16-12(14-11)7-10-2-4-15-5-3-10/h8-10H,2-7,13H2,1H3
InChIKeyBNUMKUPVCDIPPW-UHFFFAOYSA-N
XLogP2.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115088171
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115087995
1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115089637
N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716
2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile
CID 103988046
1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721143
1-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077562
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088010
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine (CID 115088149) is 1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine is CC(N)Cc1csc(CC2CCOCC2)n1.
What is the InChIKey of 1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is BNUMKUPVCDIPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(13)6-11-8-16-12(14-11)7-10-2-4-15-5-3-10/h8-10H,2-7,13H2,1H3.
What are the key properties of 1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 115088149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).