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

C13H10N4S — CID 973172

IUPACN-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1cncc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C13H10N4S/c1-2-11(8-15-5-1)16-13-17-12(9-18-13)10-3-6-14-7-4-10/h1-9H,(H,16,17)
InChIKeySQCNBGBUKCWMFH-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.34
Rot. Bonds3

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

N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 973172) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID973172
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC NameN-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1cncc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C13H10N4S/c1-2-11(8-15-5-1)16-13-17-12(9-18-13)10-3-6-14-7-4-10/h1-9H,(H,16,17)
InChIKeySQCNBGBUKCWMFH-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 N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 973172) is N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine is c1cncc(Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is SQCNBGBUKCWMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-2-11(8-15-5-1)16-13-17-12(9-18-13)10-3-6-14-7-4-10/h1-9H,(H,16,17).
What are the key properties of N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-pyridin-3-yl-4-pyridin-4-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 N-pyridin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 973172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).