5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine

C14H19N3S — CID 79817297

IUPAC5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H19N3S/c1-9-5-12(15)16-7-10(9)6-13-17-11(8-18-13)14(2,3)4/h5,7-8H,6H2,1-4H3,(H2,15,16)
InChIKeyXYJBSZWELPUFCT-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.32
Rot. Bonds2

About 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine

5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine (PubChem CID 79817297) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine
PubChem CID79817297
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H19N3S/c1-9-5-12(15)16-7-10(9)6-13-17-11(8-18-13)14(2,3)4/h5,7-8H,6H2,1-4H3,(H2,15,16)
InChIKeyXYJBSZWELPUFCT-UHFFFAOYSA-N
XLogP3.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-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

Related Compounds

5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline
CID 79817942
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylbenzoic acid
CID 81476230
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
CID 79818210
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 114049656
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one
CID 83130975
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine
CID 105409171
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol
CID 83130372
1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine
CID 79820171
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 79817008
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine
CID 79820562
1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone
CID 79816848
1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115401016

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine (CID 79817297) is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine is Cc1cc(N)ncc1Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine?
The InChIKey is XYJBSZWELPUFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-5-12(15)16-7-10(9)6-13-17-11(8-18-13)14(2,3)4/h5,7-8H,6H2,1-4H3,(H2,15,16).
What are the key properties of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine?
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 79817297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).