2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole

C10H7N3S — CID 11600877

IUPAC2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole
SMILESCc1nc(C#Cc2cncnc2)cs1
InChIInChI=1S/C10H7N3S/c1-8-13-10(6-14-8)3-2-9-4-11-7-12-5-9/h4-7H,1H3
InChIKeyILVDLPMGOZQXLY-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.64
Rot. Bonds

About 2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole

2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole (PubChem CID 11600877) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole
PubChem CID11600877
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole
SMILESCc1nc(C#Cc2cncnc2)cs1
InChIInChI=1S/C10H7N3S/c1-8-13-10(6-14-8)3-2-9-4-11-7-12-5-9/h4-7H,1H3
InChIKeyILVDLPMGOZQXLY-UHFFFAOYSA-N
XLogP1.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.64
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-pyrimidin-5-ylethynyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole (CID 11600877) is 2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole is Cc1nc(C#Cc2cncnc2)cs1.
What is the InChIKey of 2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole?
The InChIKey is ILVDLPMGOZQXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-8-13-10(6-14-8)3-2-9-4-11-7-12-5-9/h4-7H,1H3.
What are the key properties of 2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole?
2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole has a molecular weight of 201.25 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyrimidin-5-ylethynyl)-1,3-thiazole is sourced from PubChem (CID 11600877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).