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

C12H14N2S — CID 43756143

IUPACN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1ccccc1
InChIInChI=1S/C12H14N2S/c1-9-12(15-8-13-9)10(2)14-11-6-4-3-5-7-11/h3-8,10,14H,1-2H3
InChIKeyCVBWZNKBBVTDRR-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.62
Rot. Bonds3

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

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 43756143) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID43756143
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1ccccc1
InChIInChI=1S/C12H14N2S/c1-9-12(15-8-13-9)10(2)14-11-6-4-3-5-7-11/h3-8,10,14H,1-2H3
InChIKeyCVBWZNKBBVTDRR-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine
CID 115376388
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43760127
3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43757342
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-nitroaniline
CID 43785848
2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107597040
1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 43790812
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethylsulfanyl)aniline
CID 43786006
2-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyridin-4-amine
CID 80528014
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43788715
3-[2-(dimethylamino)ethoxy]-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43786044
ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765950

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 43756143) is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1C(C)Nc1ccccc1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is CVBWZNKBBVTDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-12(15-8-13-9)10(2)14-11-6-4-3-5-7-11/h3-8,10,14H,1-2H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 218.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 43756143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).