4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C15H20N2S — CID 64993113

IUPAC4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCCC(C)c1ccc(NC(C)c2nccs2)cc1
InChIInChI=1S/C15H20N2S/c1-4-11(2)13-5-7-14(8-6-13)17-12(3)15-16-9-10-18-15/h5-12,17H,4H2,1-3H3
InChIKeySNKBHMWAYWHLGG-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.83
Rot. Bonds5

About 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64993113) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64993113
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCCC(C)c1ccc(NC(C)c2nccs2)cc1
InChIInChI=1S/C15H20N2S/c1-4-11(2)13-5-7-14(8-6-13)17-12(3)15-16-9-10-18-15/h5-12,17H,4H2,1-3H3
InChIKeySNKBHMWAYWHLGG-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988332
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993196
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
4-cyclopentyloxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993074
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
4-[4-[1-(1,3-thiazol-2-yl)propylamino]butan-2-yl]aniline
CID 104501708
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993127

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64993113) is 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is CCC(C)c1ccc(NC(C)c2nccs2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is SNKBHMWAYWHLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-11(2)13-5-7-14(8-6-13)17-12(3)15-16-9-10-18-15/h5-12,17H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 260.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64993113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).