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

C14H22N4S — CID 83091638

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nc(C)cs1)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H22N4S/c1-9-8-19-13(16-9)11(15-5)10-7-18(6)17-12(10)14(2,3)4/h7-8,11,15H,1-6H3
InChIKeyYEZULFZURKCXMU-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.79
Rot. Bonds3

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

1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 83091638) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID83091638
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nc(C)cs1)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H22N4S/c1-9-8-19-13(16-9)11(15-5)10-7-18(6)17-12(10)14(2,3)4/h7-8,11,15H,1-6H3
InChIKeyYEZULFZURKCXMU-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-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-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 83091638) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is CNC(c1nc(C)cs1)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is YEZULFZURKCXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-9-8-19-13(16-9)11(15-5)10-7-18(6)17-12(10)14(2,3)4/h7-8,11,15H,1-6H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 278.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 83091638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).