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

C17H12N4S — CID 973021

IUPAC4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESc1cnc(Nc2nc(-c3ccc4ccccc4c3)cs2)nc1
InChIInChI=1S/C17H12N4S/c1-2-5-13-10-14(7-6-12(13)4-1)15-11-22-17(20-15)21-16-18-8-3-9-19-16/h1-11H,(H,18,19,20,21)
InChIKeyUXPSCBKPRNMVSD-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.50
Rot. Bonds3

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

4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 973021) has the molecular formula C17H12N4S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID973021
Molecular FormulaC17H12N4S
Molecular Weight304.38 g/mol
Exact Mass304.08
IUPAC Name4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESc1cnc(Nc2nc(-c3ccc4ccccc4c3)cs2)nc1
InChIInChI=1S/C17H12N4S/c1-2-5-13-10-14(7-6-12(13)4-1)15-11-22-17(20-15)21-16-18-8-3-9-19-16/h1-11H,(H,18,19,20,21)
InChIKeyUXPSCBKPRNMVSD-UHFFFAOYSA-N
XLogP4.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 973021) is 4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine is c1cnc(Nc2nc(-c3ccc4ccccc4c3)cs2)nc1.
What is the InChIKey of 4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is UXPSCBKPRNMVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S/c1-2-5-13-10-14(7-6-12(13)4-1)15-11-22-17(20-15)21-16-18-8-3-9-19-16/h1-11H,(H,18,19,20,21).
What are the key properties of 4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 304.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 973021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).