N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide

C12H16N2OS — CID 122331982

IUPACN-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)N2CCSC2)cc1
InChIInChI=1S/C12H16N2OS/c1-2-10-3-5-11(6-4-10)13-12(15)14-7-8-16-9-14/h3-6H,2,7-9H2,1H3,(H,13,15)
InChIKeyVVQNKWZIEXJKAU-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.79
Rot. Bonds2

About N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide

N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122331982) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122331982
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)N2CCSC2)cc1
InChIInChI=1S/C12H16N2OS/c1-2-10-3-5-11(6-4-10)13-12(15)14-7-8-16-9-14/h3-6H,2,7-9H2,1H3,(H,13,15)
InChIKeyVVQNKWZIEXJKAU-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
butyl 4-(thiomorpholine-4-carbonylamino)benzoate
CID 3408744
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 166250869
methyl 2-[[2-[4-(thiomorpholine-4-carbonylamino)phenyl]acetyl]amino]acetate
CID 47040933
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584192
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide (CID 122331982) is N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide is CCc1ccc(NC(=O)N2CCSC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is VVQNKWZIEXJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-10-3-5-11(6-4-10)13-12(15)14-7-8-16-9-14/h3-6H,2,7-9H2,1H3,(H,13,15).
What are the key properties of N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide?
N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122331982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).