N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline

C17H18N2S2 — CID 60936544

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCc1cc(C(C)Nc2cccc(-c3nccs3)c2)c(C)s1
InChIInChI=1S/C17H18N2S2/c1-11-9-16(13(3)21-11)12(2)19-15-6-4-5-14(10-15)17-18-7-8-20-17/h4-10,12,19H,1-3H3
InChIKeyBPAOQYHLHWRLLM-UHFFFAOYSA-N
MW314.48 g/mol
LogP5.66
Rot. Bonds4

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

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline (PubChem CID 60936544) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
PubChem CID60936544
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCc1cc(C(C)Nc2cccc(-c3nccs3)c2)c(C)s1
InChIInChI=1S/C17H18N2S2/c1-11-9-16(13(3)21-11)12(2)19-15-6-4-5-14(10-15)17-18-7-8-20-17/h4-10,12,19H,1-3H3
InChIKeyBPAOQYHLHWRLLM-UHFFFAOYSA-N
XLogP5.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 54881716
N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
CID 54864648
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803954
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185
N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
CID 103561673
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline (CID 60936544) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline is Cc1cc(C(C)Nc2cccc(-c3nccs3)c2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is BPAOQYHLHWRLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-11-9-16(13(3)21-11)12(2)19-15-6-4-5-14(10-15)17-18-7-8-20-17/h4-10,12,19H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 314.48 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 60936544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).