N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline

C15H20N2S — CID 54864648

IUPACN-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
SMILESCCCCC(C)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H20N2S/c1-3-4-6-12(2)17-14-8-5-7-13(11-14)15-16-9-10-18-15/h5,7-12,17H,3-4,6H2,1-2H3
InChIKeyALLFSXYEWOUDQA-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.80
Rot. Bonds6

About N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline

N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline (PubChem CID 54864648) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
PubChem CID54864648
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
SMILESCCCCC(C)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H20N2S/c1-3-4-6-12(2)17-14-8-5-7-13(11-14)15-16-9-10-18-15/h5,7-12,17H,3-4,6H2,1-2H3
InChIKeyALLFSXYEWOUDQA-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 54862009
N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 54881716
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936544
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 60927080
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline (CID 54864648) is N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline is CCCCC(C)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is ALLFSXYEWOUDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-4-6-12(2)17-14-8-5-7-13(11-14)15-16-9-10-18-15/h5,7-12,17H,3-4,6H2,1-2H3.
What are the key properties of N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline?
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 260.41 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 54864648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).