(2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone

C12H12N2OS2 — CID 164643260

IUPAC(2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CC[C@H]2c2cccs2)cs1
InChIInChI=1S/C12H12N2OS2/c1-8-13-9(7-17-8)12(15)14-5-4-10(14)11-3-2-6-16-11/h2-3,6-7,10H,4-5H2,1H3/t10-/m0/s1
InChIKeyXRWQYCNLKTUESM-JTQLQIEISA-N
MW264.38 g/mol
LogP3.10
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone (PubChem CID 164643260) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone
PubChem CID164643260
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CC[C@H]2c2cccs2)cs1
InChIInChI=1S/C12H12N2OS2/c1-8-13-9(7-17-8)12(15)14-5-4-10(14)11-3-2-6-16-11/h2-3,6-7,10H,4-5H2,1H3/t10-/m0/s1
InChIKeyXRWQYCNLKTUESM-JTQLQIEISA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone (CID 164643260) is (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone is Cc1nc(C(=O)N2CC[C@H]2c2cccs2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone?
The InChIKey is XRWQYCNLKTUESM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-8-13-9(7-17-8)12(15)14-5-4-10(14)11-3-2-6-16-11/h2-3,6-7,10H,4-5H2,1H3/t10-/m0/s1.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone has a molecular weight of 264.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone is sourced from PubChem (CID 164643260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).