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

C14H13N3S2 — CID 2898103

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccccc3)n2)s1
InChIInChI=1S/C14H13N3S2/c1-9-13(19-10(2)15-9)12-8-18-14(17-12)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)
InChIKeyNWRDDAWJDQVGFS-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.63
Rot. Bonds3

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

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 2898103) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID2898103
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccccc3)n2)s1
InChIInChI=1S/C14H13N3S2/c1-9-13(19-10(2)15-9)12-8-18-14(17-12)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)
InChIKeyNWRDDAWJDQVGFS-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine (CID 2898103) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine is Cc1nc(C)c(-c2csc(Nc3ccccc3)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is NWRDDAWJDQVGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-9-13(19-10(2)15-9)12-8-18-14(17-12)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2898103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).