[1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid

C14H15ClN4O4S — CID 154065909

IUPAC[1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)(NC(=O)O)C(=O)Nc1ccc(Cl)c(/N=C2\NC(=O)CS2)c1
InChIInChI=1S/C14H15ClN4O4S/c1-14(2,19-13(22)23)11(21)16-7-3-4-8(15)9(5-7)17-12-18-10(20)6-24-12/h3-5,19H,6H2,1-2H3,(H,16,21)(H,22,23)(H,17,18,20)
InChIKeyFAZBRGSUWVSUOW-UHFFFAOYSA-N
MW370.82 g/mol
LogP2.18
Rot. Bonds4

About [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid

[1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid (PubChem CID 154065909) has the molecular formula C14H15ClN4O4S and a molecular weight of 370.82 g/mol. Its IUPAC name is [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid
PubChem CID154065909
Molecular FormulaC14H15ClN4O4S
Molecular Weight370.82 g/mol
Exact Mass370.05
IUPAC Name[1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)(NC(=O)O)C(=O)Nc1ccc(Cl)c(/N=C2\NC(=O)CS2)c1
InChIInChI=1S/C14H15ClN4O4S/c1-14(2,19-13(22)23)11(21)16-7-3-4-8(15)9(5-7)17-12-18-10(20)6-24-12/h3-5,19H,6H2,1-2H3,(H,16,21)(H,22,23)(H,17,18,20)
InChIKeyFAZBRGSUWVSUOW-UHFFFAOYSA-N
XLogP2.18
TPSA119.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid (CID 154065909) is [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid is CC(C)(NC(=O)O)C(=O)Nc1ccc(Cl)c(/N=C2\NC(=O)CS2)c1.
What is the InChIKey of [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid?
The InChIKey is FAZBRGSUWVSUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4S/c1-14(2,19-13(22)23)11(21)16-7-3-4-8(15)9(5-7)17-12-18-10(20)6-24-12/h3-5,19H,6H2,1-2H3,(H,16,21)(H,22,23)(H,17,18,20).
What are the key properties of [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid?
[1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid has a molecular weight of 370.82 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 154065909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).