4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine

C17H19N3S2 — CID 126619380

IUPAC4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1nc(C)c(-c2csc(Nc3ccccc3CC)n2)s1
InChIInChI=1S/C17H19N3S2/c1-4-12-8-6-7-9-13(12)19-17-20-14(10-21-17)16-11(3)18-15(5-2)22-16/h6-10H,4-5H2,1-3H3,(H,19,20)
InChIKeyRVVBOCHPYMFNAM-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.44
Rot. Bonds5

About 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine

4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine (PubChem CID 126619380) has the molecular formula C17H19N3S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine
PubChem CID126619380
Molecular FormulaC17H19N3S2
Molecular Weight329.49 g/mol
Exact Mass329.10
IUPAC Name4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1nc(C)c(-c2csc(Nc3ccccc3CC)n2)s1
InChIInChI=1S/C17H19N3S2/c1-4-12-8-6-7-9-13(12)19-17-20-14(10-21-17)16-11(3)18-15(5-2)22-16/h6-10H,4-5H2,1-3H3,(H,19,20)
InChIKeyRVVBOCHPYMFNAM-UHFFFAOYSA-N
XLogP5.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine (CID 126619380) is 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine is CCc1nc(C)c(-c2csc(Nc3ccccc3CC)n2)s1.
What is the InChIKey of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is RVVBOCHPYMFNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S2/c1-4-12-8-6-7-9-13(12)19-17-20-14(10-21-17)16-11(3)18-15(5-2)22-16/h6-10H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine?
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 329.49 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126619380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).