(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide

C14H11ClF2N4O3S — CID 166905152

IUPAC(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2c[nH]c(=O)s2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C14H11ClF2N4O3S/c15-9-6(16)2-1-5(10(9)17)11(8-4-19-14(24)25-8)21-12(22)7-3-18-13(23)20-7/h1-2,4,7,11H,3H2,(H,19,24)(H,21,22)(H2,18,20,23)/t7-,11?/m0/s1
InChIKeyCFNXTNHYMIFJCX-RGENBBCFSA-N
MW388.78 g/mol
LogP1.25
Rot. Bonds4

About (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 166905152) has the molecular formula C14H11ClF2N4O3S and a molecular weight of 388.78 g/mol. Its IUPAC name is (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID166905152
Molecular FormulaC14H11ClF2N4O3S
Molecular Weight388.78 g/mol
Exact Mass388.02
IUPAC Name(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2c[nH]c(=O)s2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C14H11ClF2N4O3S/c15-9-6(16)2-1-5(10(9)17)11(8-4-19-14(24)25-8)21-12(22)7-3-18-13(23)20-7/h1-2,4,7,11H,3H2,(H,19,24)(H,21,22)(H2,18,20,23)/t7-,11?/m0/s1
InChIKeyCFNXTNHYMIFJCX-RGENBBCFSA-N
XLogP1.25
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 166905152) is (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(c2c[nH]c(=O)s2)c2ccc(F)c(Cl)c2F)N1.
What is the InChIKey of (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is CFNXTNHYMIFJCX-RGENBBCFSA-N. The full InChI is InChI=1S/C14H11ClF2N4O3S/c15-9-6(16)2-1-5(10(9)17)11(8-4-19-14(24)25-8)21-12(22)7-3-18-13(23)20-7/h1-2,4,7,11H,3H2,(H,19,24)(H,21,22)(H2,18,20,23)/t7-,11?/m0/s1.
What are the key properties of (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 388.78 g/mol, XLogP of 1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166905152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).