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

C14H24N2OS — CID 62906275

IUPAC2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C14H24N2OS/c1-12(2)8-15-10-14(3-5-17-6-4-14)7-13-9-18-11-16-13/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyPDTXMNNPVRDZNC-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.73
Rot. Bonds6

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

2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine (PubChem CID 62906275) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
PubChem CID62906275
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C14H24N2OS/c1-12(2)8-15-10-14(3-5-17-6-4-14)7-13-9-18-11-16-13/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyPDTXMNNPVRDZNC-UHFFFAOYSA-N
XLogP2.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine (CID 62906275) is 2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine is CC(C)CNCC1(Cc2cscn2)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The InChIKey is PDTXMNNPVRDZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12(2)8-15-10-14(3-5-17-6-4-14)7-13-9-18-11-16-13/h9,11-12,15H,3-8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62906275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).