[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone

C17H14N2OS — CID 87869649

IUPAC[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCc1ccccc1Nc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)19-17-18-11-15(21-17)16(20)13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19)
InChIKeyXRSKPACFOUIGRC-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.43
Rot. Bonds4

About [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone

[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 87869649) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID87869649
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCc1ccccc1Nc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)19-17-18-11-15(21-17)16(20)13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19)
InChIKeyXRSKPACFOUIGRC-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone (CID 87869649) is [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone is Cc1ccccc1Nc1ncc(C(=O)c2ccccc2)s1.
What is the InChIKey of [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is XRSKPACFOUIGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)19-17-18-11-15(21-17)16(20)13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19).
What are the key properties of [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 294.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 87869649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).