N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide

C14H13ClN2O3S — CID 62915775

IUPACN-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cc(C#CCCO)ccc2Cl)CS1
InChIInChI=1S/C14H13ClN2O3S/c15-10-5-4-9(3-1-2-6-18)7-11(10)16-13(19)12-8-21-14(20)17-12/h4-5,7,12,18H,2,6,8H2,(H,16,19)(H,17,20)
InChIKeyMQLNRMAZMQQAJM-UHFFFAOYSA-N
MW324.79 g/mol
LogP1.84
Rot. Bonds3

About N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide

N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 62915775) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID62915775
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cc(C#CCCO)ccc2Cl)CS1
InChIInChI=1S/C14H13ClN2O3S/c15-10-5-4-9(3-1-2-6-18)7-11(10)16-13(19)12-8-21-14(20)17-12/h4-5,7,12,18H,2,6,8H2,(H,16,19)(H,17,20)
InChIKeyMQLNRMAZMQQAJM-UHFFFAOYSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43096493
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 62915790
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-3-methylbutanamide
CID 62914499
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 82885183
2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688723
2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 62915604
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide
CID 62910082
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 62914509
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002367
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181329
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60805013

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 62915775) is N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)Nc2cc(C#CCCO)ccc2Cl)CS1.
What is the InChIKey of N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is MQLNRMAZMQQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-10-5-4-9(3-1-2-6-18)7-11(10)16-13(19)12-8-21-14(20)17-12/h4-5,7,12,18H,2,6,8H2,(H,16,19)(H,17,20).
What are the key properties of N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 324.79 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 62915775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).