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

C13H22N2OS — CID 61331159

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)C1CCOC1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)10-8-17-12(15-10)11(14-4)9-5-6-16-7-9/h8-9,11,14H,5-7H2,1-4H3
InChIKeyDTPWJUUMPNJVNO-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.74
Rot. Bonds3

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 61331159) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID61331159
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)C1CCOC1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)10-8-17-12(15-10)11(14-4)9-5-6-16-7-9/h8-9,11,14H,5-7H2,1-4H3
InChIKeyDTPWJUUMPNJVNO-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-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-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 61331159) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine is CNC(c1nc(C(C)(C)C)cs1)C1CCOC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is DTPWJUUMPNJVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2,3)10-8-17-12(15-10)11(14-4)9-5-6-16-7-9/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 254.40 g/mol, XLogP of 2.74, 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-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61331159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).