[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine

C15H21N3OS — CID 114361101

IUPAC[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(Cc2nc(C(C)(C)C)c(CN)s2)cn1
InChIInChI=1S/C15H21N3OS/c1-15(2,3)14-11(8-16)20-13(18-14)7-10-5-6-12(19-4)17-9-10/h5-6,9H,7-8,16H2,1-4H3
InChIKeyODBJLCFOIYDBGI-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.89
Rot. Bonds4

About [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 114361101) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID114361101
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(Cc2nc(C(C)(C)C)c(CN)s2)cn1
InChIInChI=1S/C15H21N3OS/c1-15(2,3)14-11(8-16)20-13(18-14)7-10-5-6-12(19-4)17-9-10/h5-6,9H,7-8,16H2,1-4H3
InChIKeyODBJLCFOIYDBGI-UHFFFAOYSA-N
XLogP2.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-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

Related Compounds

(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
CID 82438449
[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114360980
2-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]ethanethiol
CID 112753795
5-acetyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 106696320
[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82438798
[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
CID 114361034
4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 114360258
[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361068
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
CID 82439357
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82428463
2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
CID 139512366

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine (CID 114361101) is [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine is COc1ccc(Cc2nc(C(C)(C)C)c(CN)s2)cn1.
What is the InChIKey of [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is ODBJLCFOIYDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2,3)14-11(8-16)20-13(18-14)7-10-5-6-12(19-4)17-9-10/h5-6,9H,7-8,16H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).