3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline

C16H22N2OS — CID 62325026

IUPAC3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCc1ncc(CNc2cccc(OC(C)CC)c2)s1
InChIInChI=1S/C16H22N2OS/c1-4-12(3)19-14-8-6-7-13(9-14)17-10-15-11-18-16(5-2)20-15/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeyIBQJQAOWHKHWQT-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.49
Rot. Bonds7

About 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline

3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 62325026) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID62325026
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCc1ncc(CNc2cccc(OC(C)CC)c2)s1
InChIInChI=1S/C16H22N2OS/c1-4-12(3)19-14-8-6-7-13(9-14)17-10-15-11-18-16(5-2)20-15/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeyIBQJQAOWHKHWQT-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79794177
4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883371
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-nitroaniline
CID 54883766
2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 60983417
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62749146
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
3-butan-2-yloxy-N-[(4-chlorophenyl)methyl]aniline
CID 54802725
3-butan-2-yloxy-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114842274
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-fluorobenzoic acid
CID 54883431

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline (CID 62325026) is 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline is CCc1ncc(CNc2cccc(OC(C)CC)c2)s1.
What is the InChIKey of 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is IBQJQAOWHKHWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-12(3)19-14-8-6-7-13(9-14)17-10-15-11-18-16(5-2)20-15/h6-9,11-12,17H,4-5,10H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 290.43 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 62325026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).