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

C13H12N4S2 — CID 556143

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1
InChIInChI=1S/C13H12N4S2/c1-8-12(19-9(2)15-8)10-7-18-13(16-10)17-11-5-3-4-6-14-11/h3-7H,1-2H3,(H,14,16,17)
InChIKeyQFZCXSQSNPMBIJ-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.02
Rot. Bonds3

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

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 556143) has the molecular formula C13H12N4S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID556143
Molecular FormulaC13H12N4S2
Molecular Weight288.40 g/mol
Exact Mass288.05
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1
InChIInChI=1S/C13H12N4S2/c1-8-12(19-9(2)15-8)10-7-18-13(16-10)17-11-5-3-4-6-14-11/h3-7H,1-2H3,(H,14,16,17)
InChIKeyQFZCXSQSNPMBIJ-UHFFFAOYSA-N
XLogP4.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.02
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-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 556143) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is QFZCXSQSNPMBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S2/c1-8-12(19-9(2)15-8)10-7-18-13(16-10)17-11-5-3-4-6-14-11/h3-7H,1-2H3,(H,14,16,17).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 288.40 g/mol, XLogP of 4.02, 3 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-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 556143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).