N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine

C16H16N4S — CID 174524706

IUPACN-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCCCc1ccc(Nc2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C16H16N4S/c1-2-4-12-7-8-14(18-11-12)20-15-6-3-5-13(19-15)16-17-9-10-21-16/h3,5-11H,2,4H2,1H3,(H,18,19,20)
InChIKeyQPCSHKYZIBYFHD-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.30
Rot. Bonds5

About N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine

N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine (PubChem CID 174524706) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
PubChem CID174524706
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCCCc1ccc(Nc2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C16H16N4S/c1-2-4-12-7-8-14(18-11-12)20-15-6-3-5-13(19-15)16-17-9-10-21-16/h3,5-11H,2,4H2,1H3,(H,18,19,20)
InChIKeyQPCSHKYZIBYFHD-UHFFFAOYSA-N
XLogP4.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The IUPAC name of N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine (CID 174524706) is N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The canonical SMILES for N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine is CCCc1ccc(Nc2cccc(-c3nccs3)n2)nc1.
What is the InChIKey of N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The InChIKey is QPCSHKYZIBYFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-4-12-7-8-14(18-11-12)20-15-6-3-5-13(19-15)16-17-9-10-21-16/h3,5-11H,2,4H2,1H3,(H,18,19,20).
What are the key properties of N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine has a molecular weight of 296.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 174524706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).