N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C16H25ClN2OS — CID 119336291

IUPACN-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)C(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-12-5-7-13(8-6-12)16(2,3)10-18(4)15(19)14-9-20-11-17-14;/h5-8,14,17H,9-11H2,1-4H3;1H
InChIKeySQRGOVJLGVTYBC-UHFFFAOYSA-N
MW328.91 g/mol
LogP2.82
Rot. Bonds4

About N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119336291) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119336291
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)C(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-12-5-7-13(8-6-12)16(2,3)10-18(4)15(19)14-9-20-11-17-14;/h5-8,14,17H,9-11H2,1-4H3;1H
InChIKeySQRGOVJLGVTYBC-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119336291) is N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1ccc(C(C)(C)CN(C)C(=O)C2CSCN2)cc1.Cl.
What is the InChIKey of N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is SQRGOVJLGVTYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-12-5-7-13(8-6-12)16(2,3)10-18(4)15(19)14-9-20-11-17-14;/h5-8,14,17H,9-11H2,1-4H3;1H.
What are the key properties of N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119336291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).