4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine

C16H17N3OS2 — CID 746678

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccccc1Nc1nc(-c2sc(C)nc2C)cs1
InChIInChI=1S/C16H17N3OS2/c1-4-20-14-8-6-5-7-12(14)18-16-19-13(9-21-16)15-10(2)17-11(3)22-15/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyMHGXEGCQMMJVMX-UHFFFAOYSA-N
MW331.47 g/mol
LogP5.03
Rot. Bonds5

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 746678) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID746678
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccccc1Nc1nc(-c2sc(C)nc2C)cs1
InChIInChI=1S/C16H17N3OS2/c1-4-20-14-8-6-5-7-12(14)18-16-19-13(9-21-16)15-10(2)17-11(3)22-15/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyMHGXEGCQMMJVMX-UHFFFAOYSA-N
XLogP5.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine (CID 746678) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine is CCOc1ccccc1Nc1nc(-c2sc(C)nc2C)cs1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is MHGXEGCQMMJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-4-20-14-8-6-5-7-12(14)18-16-19-13(9-21-16)15-10(2)17-11(3)22-15/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 331.47 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 746678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).