1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone

C11H15NOS2 — CID 130685251

IUPAC1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone
SMILESCc1cc(C(=O)CC2CCSCC2)sn1
InChIInChI=1S/C11H15NOS2/c1-8-6-11(15-12-8)10(13)7-9-2-4-14-5-3-9/h6,9H,2-5,7H2,1H3
InChIKeyDTAMFIDLJKAXSN-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.17
Rot. Bonds3

About 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone

1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone (PubChem CID 130685251) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone
PubChem CID130685251
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone
SMILESCc1cc(C(=O)CC2CCSCC2)sn1
InChIInChI=1S/C11H15NOS2/c1-8-6-11(15-12-8)10(13)7-9-2-4-14-5-3-9/h6,9H,2-5,7H2,1H3
InChIKeyDTAMFIDLJKAXSN-UHFFFAOYSA-N
XLogP3.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone?
The IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone (CID 130685251) is 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone?
The canonical SMILES for 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone is Cc1cc(C(=O)CC2CCSCC2)sn1.
What is the InChIKey of 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone?
The InChIKey is DTAMFIDLJKAXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-8-6-11(15-12-8)10(13)7-9-2-4-14-5-3-9/h6,9H,2-5,7H2,1H3.
What are the key properties of 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone?
1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone has a molecular weight of 241.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone is sourced from PubChem (CID 130685251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).