(3-methyl-1,2-thiazol-5-yl)-phenylmethanone

C11H9NOS — CID 10703336

IUPAC(3-methyl-1,2-thiazol-5-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)sn1
InChIInChI=1S/C11H9NOS/c1-8-7-10(14-12-8)11(13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyKSXXTSMOOKWPAY-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.68
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-phenylmethanone

(3-methyl-1,2-thiazol-5-yl)-phenylmethanone (PubChem CID 10703336) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-phenylmethanone
PubChem CID10703336
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)sn1
InChIInChI=1S/C11H9NOS/c1-8-7-10(14-12-8)11(13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyKSXXTSMOOKWPAY-UHFFFAOYSA-N
XLogP2.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-phenylmethanone?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-phenylmethanone (CID 10703336) is (3-methyl-1,2-thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-phenylmethanone?
The InChIKey is KSXXTSMOOKWPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8-7-10(14-12-8)11(13)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-phenylmethanone?
(3-methyl-1,2-thiazol-5-yl)-phenylmethanone has a molecular weight of 203.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 10703336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).