6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole

C13H13NOS — CID 141111505

IUPAC6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole
SMILESCC(C)c1cccc2c1OCc1scnc1-2
InChIInChI=1S/C13H13NOS/c1-8(2)9-4-3-5-10-12-11(16-7-14-12)6-15-13(9)10/h3-5,7-8H,6H2,1-2H3
InChIKeyVPUSXXQMWFOUFZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.83
Rot. Bonds1

About 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole

6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole (PubChem CID 141111505) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole.

Molecular Properties

Compound Name6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole
PubChem CID141111505
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole
SMILESCC(C)c1cccc2c1OCc1scnc1-2
InChIInChI=1S/C13H13NOS/c1-8(2)9-4-3-5-10-12-11(16-7-14-12)6-15-13(9)10/h3-5,7-8H,6H2,1-2H3
InChIKeyVPUSXXQMWFOUFZ-UHFFFAOYSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82277152
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2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline
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1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
5,7-bis[2,6-di(propan-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 118656628
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
ethane;6-propan-2-ylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]
CID 165000926
2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 166819629
6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine
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4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47240041
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CID 139672267
N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
CID 22251744

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole?
The IUPAC name of 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole (CID 141111505) is 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole.
What is the SMILES notation for 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole?
The canonical SMILES for 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole is CC(C)c1cccc2c1OCc1scnc1-2.
What is the InChIKey of 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole?
The InChIKey is VPUSXXQMWFOUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-8(2)9-4-3-5-10-12-11(16-7-14-12)6-15-13(9)10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole?
6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole has a molecular weight of 231.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole is sourced from PubChem (CID 141111505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).