4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

C17H18N2S2 — CID 43097732

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(-c3csc(C)n3)cc2)s1
InChIInChI=1S/C17H18N2S2/c1-11-4-9-17(21-11)12(2)18-15-7-5-14(6-8-15)16-10-20-13(3)19-16/h4-10,12,18H,1-3H3
InChIKeyJICQQJQEADOOFF-UHFFFAOYSA-N
MW314.48 g/mol
LogP5.66
Rot. Bonds4

About 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 43097732) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID43097732
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(-c3csc(C)n3)cc2)s1
InChIInChI=1S/C17H18N2S2/c1-11-4-9-17(21-11)12(2)18-15-7-5-14(6-8-15)16-10-20-13(3)19-16/h4-10,12,18H,1-3H3
InChIKeyJICQQJQEADOOFF-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

4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
CID 43716871
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993196
4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline
CID 43205876
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
5,6-dimethyl-2-[(1R)-1-[4-(2-methyl-1,3-thiazol-4-yl)anilino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 94447538
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884
N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43147203
N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60932015
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704811
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (CID 43097732) is 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is Cc1ccc(C(C)Nc2ccc(-c3csc(C)n3)cc2)s1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is JICQQJQEADOOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-11-4-9-17(21-11)12(2)18-15-7-5-14(6-8-15)16-10-20-13(3)19-16/h4-10,12,18H,1-3H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]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 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43097732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).