5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

C15H20N2OS — CID 60687872

IUPAC5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1ccc(C(C)(C)C)cc1NCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)11-5-6-14(18-4)13(7-11)16-8-12-9-19-10-17-12/h5-7,9-10,16H,8H2,1-4H3
InChIKeySCTLXRCJDHTQEW-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.06
Rot. Bonds4

About 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60687872) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60687872
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1ccc(C(C)(C)C)cc1NCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)11-5-6-14(18-4)13(7-11)16-8-12-9-19-10-17-12/h5-7,9-10,16H,8H2,1-4H3
InChIKeySCTLXRCJDHTQEW-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline 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-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61223553
2-fluoro-4,5-dimethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 84595025
2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103412233
2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696576
2-bromo-4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 115877205
N-[(4-bromothiophen-2-yl)methyl]-5-tert-butyl-2-methoxyaniline
CID 43681244
N-[(5-bromothiophen-3-yl)methyl]-5-tert-butyl-2-methoxyaniline
CID 43681233
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline
CID 55162228
5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43425876
N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683495

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60687872) is 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is COc1ccc(C(C)(C)C)cc1NCc1cscn1.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is SCTLXRCJDHTQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,3)11-5-6-14(18-4)13(7-11)16-8-12-9-19-10-17-12/h5-7,9-10,16H,8H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 276.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60687872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).