2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole

C14H14N2OS — CID 16663132

IUPAC2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(OC(C)C)nc2)cs1
InChIInChI=1S/C14H14N2OS/c1-10(2)17-14-7-5-12(8-15-14)4-6-13-9-18-11(3)16-13/h5,7-10H,1-3H3
InChIKeySVXRTYFBOFCWFK-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.03
Rot. Bonds2

About 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole

2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole (PubChem CID 16663132) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole
PubChem CID16663132
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(OC(C)C)nc2)cs1
InChIInChI=1S/C14H14N2OS/c1-10(2)17-14-7-5-12(8-15-14)4-6-13-9-18-11(3)16-13/h5,7-10H,1-3H3
InChIKeySVXRTYFBOFCWFK-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole (CID 16663132) is 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole is Cc1nc(C#Cc2ccc(OC(C)C)nc2)cs1.
What is the InChIKey of 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole?
The InChIKey is SVXRTYFBOFCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10(2)17-14-7-5-12(8-15-14)4-6-13-9-18-11(3)16-13/h5,7-10H,1-3H3.
What are the key properties of 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole?
2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole has a molecular weight of 258.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole is sourced from PubChem (CID 16663132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).