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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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
2-Methyl-4,5-diphenylthiazole
CID 77365
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
5-(Ethylsulfonyl)-2-phenyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine
CID 8034886
4H-thiochromeno[4,3-d][1,3]thiazol-2-amine
CID 5010952
(2E)-2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 136245081
2-(Ethylthio)-4-phenylthiazole
CID 79206
Dimethyl-[2-(5-methyl-4-phenyl-thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374298
5-methylsulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 8070745
1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone oxime
CID 9581906
2,4-Diphenylthiazole
CID 616975
2-Methylthio-4-phenyl-thiazole
CID 12457584

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).