3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline

C13H16N2S — CID 82475385

IUPAC3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1nc(CCc2cccc(N)c2)sc1C
InChIInChI=1S/C13H16N2S/c1-9-10(2)16-13(15-9)7-6-11-4-3-5-12(14)8-11/h3-5,8H,6-7,14H2,1-2H3
InChIKeyBBVBFOSPMMRBFQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.13
Rot. Bonds3

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

3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 82475385) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
PubChem CID82475385
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1nc(CCc2cccc(N)c2)sc1C
InChIInChI=1S/C13H16N2S/c1-9-10(2)16-13(15-9)7-6-11-4-3-5-12(14)8-11/h3-5,8H,6-7,14H2,1-2H3
InChIKeyBBVBFOSPMMRBFQ-UHFFFAOYSA-N
XLogP3.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine
CID 65169131
3-(4-methyl-2-propyl-1,3-thiazol-5-yl)aniline
CID 116885231
3-[2-(6-methylpyrimidin-4-yl)ethyl]aniline
CID 82471038
2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole
CID 82490061
3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline
CID 113290648
5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120647219
ethane;3-propylaniline;vanadium
CID 143596420
3-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]aniline
CID 82469664
2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738
3-[(5-methyl-1,3-benzothiazol-2-yl)methyl]aniline
CID 65345737
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylsulfonyl]-2-methylaniline
CID 81190473
3-pentylaniline
CID 19911390

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline (CID 82475385) is 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline is Cc1nc(CCc2cccc(N)c2)sc1C.
What is the InChIKey of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is BBVBFOSPMMRBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-10(2)16-13(15-9)7-6-11-4-3-5-12(14)8-11/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline?
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 232.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 82475385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).