4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C13H10N4S — CID 767548

IUPAC4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C13H10N4S/c1-2-5-10(6-3-1)11-9-18-13(16-11)17-12-14-7-4-8-15-12/h1-9H,(H,14,15,16,17)
InChIKeyFMLLSOIFCVZTFJ-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.34
Rot. Bonds3

About 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 767548) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID767548
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C13H10N4S/c1-2-5-10(6-3-1)11-9-18-13(16-11)17-12-14-7-4-8-15-12/h1-9H,(H,14,15,16,17)
InChIKeyFMLLSOIFCVZTFJ-UHFFFAOYSA-N
XLogP3.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 767548) is 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine is c1ccc(-c2csc(Nc3ncccn3)n2)cc1.
What is the InChIKey of 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is FMLLSOIFCVZTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-2-5-10(6-3-1)11-9-18-13(16-11)17-12-14-7-4-8-15-12/h1-9H,(H,14,15,16,17).
What are the key properties of 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 254.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 767548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).