N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide

C14H20N2O2S — CID 54862659

IUPACN-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)C1CSCN1
InChIInChI=1S/C14H20N2O2S/c1-9(2)18-11-4-5-12(10(3)6-11)16-14(17)13-7-19-8-15-13/h4-6,9,13,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyODELZMSHQYJQOX-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.38
Rot. Bonds4

About N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide

N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54862659) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID54862659
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)C1CSCN1
InChIInChI=1S/C14H20N2O2S/c1-9(2)18-11-4-5-12(10(3)6-11)16-14(17)13-7-19-8-15-13/h4-6,9,13,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyODELZMSHQYJQOX-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672
N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982066
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(5-chloro-2-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792775
N-(2,4-dimethyl-5-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 104757731
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119328584
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 54862659) is N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide is Cc1cc(OC(C)C)ccc1NC(=O)C1CSCN1.
What is the InChIKey of N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ODELZMSHQYJQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9(2)18-11-4-5-12(10(3)6-11)16-14(17)13-7-19-8-15-13/h4-6,9,13,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide?
N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54862659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).