N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide

C14H18ClN3O2S — CID 119297727

IUPACN-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(CCCNC(=O)C1CSCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2S/c15-10-3-5-11(6-4-10)18-13(19)2-1-7-16-14(20)12-8-21-9-17-12/h3-6,12,17H,1-2,7-9H2,(H,16,20)(H,18,19)
InChIKeyATMTWIPFEIXVHS-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.84
Rot. Bonds6

About N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide

N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119297727) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119297727
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(CCCNC(=O)C1CSCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2S/c15-10-3-5-11(6-4-10)18-13(19)2-1-7-16-14(20)12-8-21-9-17-12/h3-6,12,17H,1-2,7-9H2,(H,16,20)(H,18,19)
InChIKeyATMTWIPFEIXVHS-UHFFFAOYSA-N
XLogP1.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-4-[(2-thiomorpholin-3-ylacetyl)amino]butanamide
CID 119937332
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
CID 47067239
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303951
3-amino-N-[4-(4-chloroanilino)-4-oxobutyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119738699
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812149
N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
CID 119738705
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
CID 110666300
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide (CID 119297727) is N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide is O=C(CCCNC(=O)C1CSCN1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ATMTWIPFEIXVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c15-10-3-5-11(6-4-10)18-13(19)2-1-7-16-14(20)12-8-21-9-17-12/h3-6,12,17H,1-2,7-9H2,(H,16,20)(H,18,19).
What are the key properties of N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide?
N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 327.84 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119297727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).