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

C13H16N2S2 — CID 43757342

IUPAC3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCSc1cccc(NC(C)c2scnc2C)c1
InChIInChI=1S/C13H16N2S2/c1-9-13(17-8-14-9)10(2)15-11-5-4-6-12(7-11)16-3/h4-8,10,15H,1-3H3
InChIKeyDEEIQXQDVKRSFU-UHFFFAOYSA-N
MW264.42 g/mol
LogP4.35
Rot. Bonds4

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

3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 43757342) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID43757342
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCSc1cccc(NC(C)c2scnc2C)c1
InChIInChI=1S/C13H16N2S2/c1-9-13(17-8-14-9)10(2)15-11-5-4-6-12(7-11)16-3/h4-8,10,15H,1-3H3
InChIKeyDEEIQXQDVKRSFU-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 71857317
Piperazine, 1-(2-(4-methyl-5-thiazolyl)ethyl)-4-phenyl-, dihydrochloride
CID 3021496
4-(3-methoxypropylsulfanyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 75385416
4-(3-methoxypropylsulfanyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 84591276
4,5-Dimethyl-3-phenyl-1,3-thiazol-3-ium
CID 67125407
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-phenylpropane-1,3-diamine
CID 71859812
N-[2-(2-Ethyl-1,3-thiazol-4-YL)ethyl]-2-methylpyridin-4-amine
CID 124219318
(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylpropan-2-amine
CID 164635672
Piperazine, 1-[2-(4-methyl-5-thiazolyl)ethyl]-4-phenyl-
CID 3021497
3-chloro-4-fluoro-N-((4-methylthiazole-5-yl)methyl)aniline
CID 59740625
4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683496
2-[4-(2-Fluoroanilino)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 134314503

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 43757342) is 3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is CSc1cccc(NC(C)c2scnc2C)c1.
What is the InChIKey of 3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is DEEIQXQDVKRSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-9-13(17-8-14-9)10(2)15-11-5-4-6-12(7-11)16-3/h4-8,10,15H,1-3H3.
What are the key properties of 3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 264.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 43757342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).