N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine

C19H21N3OS — CID 59128807

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H21N3OS/c1-13-12-24-18(21-13)22-15-9-7-11-20-17(15)23-16-10-6-5-8-14(16)19(2,3)4/h5-12H,1-4H3,(H,21,22)
InChIKeyQVNQHWPOLPTDIV-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.68
Rot. Bonds4

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 59128807) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID59128807
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H21N3OS/c1-13-12-24-18(21-13)22-15-9-7-11-20-17(15)23-16-10-6-5-8-14(16)19(2,3)4/h5-12H,1-4H3,(H,21,22)
InChIKeyQVNQHWPOLPTDIV-UHFFFAOYSA-N
XLogP5.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine 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 N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 59128807) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is QVNQHWPOLPTDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-12-24-18(21-13)22-15-9-7-11-20-17(15)23-16-10-6-5-8-14(16)19(2,3)4/h5-12H,1-4H3,(H,21,22).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 339.46 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59128807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).