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

C14H11N3S — CID 697807

IUPAC4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C14H11N3S/c1-2-5-11(6-3-1)13-10-18-14(17-13)16-12-7-4-8-15-9-12/h1-10H,(H,16,17)
InChIKeyHNBKFOKGRVAMQI-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.95
Rot. Bonds3

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

4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 697807) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID697807
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C14H11N3S/c1-2-5-11(6-3-1)13-10-18-14(17-13)16-12-7-4-8-15-9-12/h1-10H,(H,16,17)
InChIKeyHNBKFOKGRVAMQI-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine (CID 697807) is 4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine is c1ccc(-c2csc(Nc3cccnc3)n2)cc1.
What is the InChIKey of 4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is HNBKFOKGRVAMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-2-5-11(6-3-1)13-10-18-14(17-13)16-12-7-4-8-15-9-12/h1-10H,(H,16,17).
What are the key properties of 4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine?
4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 253.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 697807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).