2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole

C14H11NS3 — CID 639238

IUPAC2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole
SMILESCSc1nc(-c2cccs2)c(-c2ccccc2)s1
InChIInChI=1S/C14H11NS3/c1-16-14-15-12(11-8-5-9-17-11)13(18-14)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyGARZNNQKNJSDKH-UHFFFAOYSA-N
MW289.45 g/mol
LogP5.26
Rot. Bonds3

About 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole

2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole (PubChem CID 639238) has the molecular formula C14H11NS3 and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole
PubChem CID639238
Molecular FormulaC14H11NS3
Molecular Weight289.45 g/mol
Exact Mass289.01
IUPAC Name2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole
SMILESCSc1nc(-c2cccs2)c(-c2ccccc2)s1
InChIInChI=1S/C14H11NS3/c1-16-14-15-12(11-8-5-9-17-11)13(18-14)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyGARZNNQKNJSDKH-UHFFFAOYSA-N
XLogP5.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.45
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole (CID 639238) is 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole is CSc1nc(-c2cccs2)c(-c2ccccc2)s1.
What is the InChIKey of 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is GARZNNQKNJSDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS3/c1-16-14-15-12(11-8-5-9-17-11)13(18-14)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole?
2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 289.45 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 639238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).