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

C14H11N3S — CID 746609

IUPACN-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C14H11N3S/c1-2-4-12(5-3-1)16-14-17-13(10-18-14)11-6-8-15-9-7-11/h1-10H,(H,16,17)
InChIKeyDTAVDUKDVHWDGI-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.95
Rot. Bonds3

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

N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 746609) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID746609
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC NameN-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C14H11N3S/c1-2-4-12(5-3-1)16-14-17-13(10-18-14)11-6-8-15-9-7-11/h1-10H,(H,16,17)
InChIKeyDTAVDUKDVHWDGI-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 N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 746609) is N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine is c1ccc(Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is DTAVDUKDVHWDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-2-4-12(5-3-1)16-14-17-13(10-18-14)11-6-8-15-9-7-11/h1-10H,(H,16,17).
What are the key properties of N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-phenyl-4-pyridin-4-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 N-phenyl-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 746609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).