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

C15H17N5S — CID 60983287

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCCc1ncc(CNc2cccc(-c3nncn3C)c2)s1
InChIInChI=1S/C15H17N5S/c1-3-14-17-9-13(21-14)8-16-12-6-4-5-11(7-12)15-19-18-10-20(15)2/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyKWHQFZUNJXUBQF-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.11
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 60983287) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID60983287
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCCc1ncc(CNc2cccc(-c3nncn3C)c2)s1
InChIInChI=1S/C15H17N5S/c1-3-14-17-9-13(21-14)8-16-12-6-4-5-11(7-12)15-19-18-10-20(15)2/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyKWHQFZUNJXUBQF-UHFFFAOYSA-N
XLogP3.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657022
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171409
3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761649
N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738645
N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62748416
N-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 106936294
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-nitroaniline
CID 54883766
2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 60983417
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 60983287) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is CCc1ncc(CNc2cccc(-c3nncn3C)c2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is KWHQFZUNJXUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-3-14-17-9-13(21-14)8-16-12-6-4-5-11(7-12)15-19-18-10-20(15)2/h4-7,9-10,16H,3,8H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 299.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 60983287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).