1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine

C14H24N2OS — CID 55241460

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)C1CCCOC1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)11-9-18-13(16-11)12(15-4)10-6-5-7-17-8-10/h9-10,12,15H,5-8H2,1-4H3
InChIKeyMKJIXBMVJIOKTI-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 55241460) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID55241460
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)C1CCCOC1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)11-9-18-13(16-11)12(15-4)10-6-5-7-17-8-10/h9-10,12,15H,5-8H2,1-4H3
InChIKeyMKJIXBMVJIOKTI-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine (CID 55241460) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(c1nc(C(C)(C)C)cs1)C1CCCOC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is MKJIXBMVJIOKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(2,3)11-9-18-13(16-11)12(15-4)10-6-5-7-17-8-10/h9-10,12,15H,5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 268.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 55241460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).