2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole

C11H9NS2 — CID 130511764

IUPAC2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole
SMILESCc1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C11H9NS2/c1-7-12-11-8-4-2-3-5-9(8)13-6-10(11)14-7/h2-5H,6H2,1H3
InChIKeyDZDUCVKFCPLOSM-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.72
Rot. Bonds

About 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole

2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole (PubChem CID 130511764) has the molecular formula C11H9NS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole
PubChem CID130511764
Molecular FormulaC11H9NS2
Molecular Weight219.33 g/mol
Exact Mass219.02
IUPAC Name2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole
SMILESCc1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C11H9NS2/c1-7-12-11-8-4-2-3-5-9(8)13-6-10(11)14-7/h2-5H,6H2,1H3
InChIKeyDZDUCVKFCPLOSM-UHFFFAOYSA-N
XLogP3.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole?
The IUPAC name of 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole (CID 130511764) is 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole.
What is the SMILES notation for 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole?
The canonical SMILES for 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole is Cc1nc2c(s1)CSc1ccccc1-2.
What is the InChIKey of 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole?
The InChIKey is DZDUCVKFCPLOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS2/c1-7-12-11-8-4-2-3-5-9(8)13-6-10(11)14-7/h2-5H,6H2,1H3.
What are the key properties of 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole?
2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole has a molecular weight of 219.33 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole is sourced from PubChem (CID 130511764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).