N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline

C16H22N2OS — CID 63120786

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-5-19-14-9-7-6-8-13(14)17-10-12-11-18-15(20-12)16(2,3)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyTTZBYCFNINLVRO-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.45
Rot. Bonds5

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline (PubChem CID 63120786) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline
PubChem CID63120786
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-5-19-14-9-7-6-8-13(14)17-10-12-11-18-15(20-12)16(2,3)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyTTZBYCFNINLVRO-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-4-methylaniline
CID 63120648
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-ethoxy-3-fluoroaniline
CID 115593197
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250104
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-6-methylbenzonitrile
CID 107803658
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxyaniline
CID 28972860
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-chloro-4-fluoroaniline
CID 63120671
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethoxy)aniline
CID 54868778
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511
4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbenzoic acid
CID 63120657
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine
CID 116812815

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline (CID 63120786) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline is CCOc1ccccc1NCc1cnc(C(C)(C)C)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline?
The InChIKey is TTZBYCFNINLVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-19-14-9-7-6-8-13(14)17-10-12-11-18-15(20-12)16(2,3)4/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline has a molecular weight of 290.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline is sourced from PubChem (CID 63120786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).