(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

C12H15NOS — CID 122331515

IUPAC(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2C)cc1
InChIInChI=1S/C12H15NOS/c1-9-3-5-11(6-4-9)12(14)13-7-8-15-10(13)2/h3-6,10H,7-8H2,1-2H3
InChIKeySIKHLVCLPMLQEI-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.53
Rot. Bonds1

About (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122331515) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122331515
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2C)cc1
InChIInChI=1S/C12H15NOS/c1-9-3-5-11(6-4-9)12(14)13-7-8-15-10(13)2/h3-6,10H,7-8H2,1-2H3
InChIKeySIKHLVCLPMLQEI-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (CID 122331515) is (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is Cc1ccc(C(=O)N2CCSC2C)cc1.
What is the InChIKey of (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is SIKHLVCLPMLQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9-3-5-11(6-4-9)12(14)13-7-8-15-10(13)2/h3-6,10H,7-8H2,1-2H3.
What are the key properties of (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 221.32 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122331515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).