2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole

C9H9NS — CID 122242615

IUPAC2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole
SMILESCc1csc(C#CC2CC2)n1
InChIInChI=1S/C9H9NS/c1-7-6-11-9(10-7)5-4-8-2-3-8/h6,8H,2-3H2,1H3
InChIKeyMFTPZUXGZZKBCN-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.21
Rot. Bonds

About 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole

2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole (PubChem CID 122242615) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole
PubChem CID122242615
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole
SMILESCc1csc(C#CC2CC2)n1
InChIInChI=1S/C9H9NS/c1-7-6-11-9(10-7)5-4-8-2-3-8/h6,8H,2-3H2,1H3
InChIKeyMFTPZUXGZZKBCN-UHFFFAOYSA-N
XLogP2.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopentylethynyl)-1,3-thiazole-4-thiol;propane;dihydrate
CID 176970262
2-(4-methyl-1,3-thiazol-2-yl)ethynyl thiohypoiodite
CID 155462373
4-methyl-2-pent-1-ynyl-1,3-thiazole
CID 59571079
2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane
CID 143290404
N-cyclopentyl-4-methyl-1,3-thiazol-2-amine;molecular hydrogen
CID 142956868
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
N-(2,3-dimethylcyclopentyl)-4-methyl-1,3-thiazol-2-amine
CID 64922035
N-cyclohexyl-4-methyl-1,3-thiazol-2-amine;molecular hydrogen
CID 143290399
4-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine
CID 24708198
7,7-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde
CID 174543258
N-(2-ethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine
CID 61469795
dicyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 170068193

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole (CID 122242615) is 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole is Cc1csc(C#CC2CC2)n1.
What is the InChIKey of 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole?
The InChIKey is MFTPZUXGZZKBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-7-6-11-9(10-7)5-4-8-2-3-8/h6,8H,2-3H2,1H3.
What are the key properties of 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole?
2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole has a molecular weight of 163.25 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 122242615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).