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

C16H14N4S — CID 69235143

IUPACN-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESC=C(C)c1ccc(Nc2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C16H14N4S/c1-11(2)12-6-7-14(18-10-12)20-15-5-3-4-13(19-15)16-17-8-9-21-16/h3-10H,1H2,2H3,(H,18,19,20)
InChIKeyGKSQMRIEDLSIBV-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.38
Rot. Bonds4

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

N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine (PubChem CID 69235143) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
PubChem CID69235143
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC NameN-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESC=C(C)c1ccc(Nc2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C16H14N4S/c1-11(2)12-6-7-14(18-10-12)20-15-5-3-4-13(19-15)16-17-8-9-21-16/h3-10H,1H2,2H3,(H,18,19,20)
InChIKeyGKSQMRIEDLSIBV-UHFFFAOYSA-N
XLogP4.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The IUPAC name of N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine (CID 69235143) is N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The canonical SMILES for N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine is C=C(C)c1ccc(Nc2cccc(-c3nccs3)n2)nc1.
What is the InChIKey of N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The InChIKey is GKSQMRIEDLSIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-11(2)12-6-7-14(18-10-12)20-15-5-3-4-13(19-15)16-17-8-9-21-16/h3-10H,1H2,2H3,(H,18,19,20).
What are the key properties of N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine has a molecular weight of 294.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-prop-1-en-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 69235143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).