2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide

C19H18ClN3O2S — CID 4297303

IUPAC2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)NC1=NCCS1
InChIInChI=1S/C19H18ClN3O2S/c20-15-9-5-4-8-14(15)18(25)22-16(13-6-2-1-3-7-13)12-17(24)23-19-21-10-11-26-19/h1-9,16H,10-12H2,(H,22,25)(H,21,23,24)
InChIKeyIORHFETYGCWYEQ-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.42
Rot. Bonds5

About 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 4297303) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID4297303
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)NC1=NCCS1
InChIInChI=1S/C19H18ClN3O2S/c20-15-9-5-4-8-14(15)18(25)22-16(13-6-2-1-3-7-13)12-17(24)23-19-21-10-11-26-19/h1-9,16H,10-12H2,(H,22,25)(H,21,23,24)
InChIKeyIORHFETYGCWYEQ-UHFFFAOYSA-N
XLogP3.42
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide (CID 4297303) is 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide is O=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)NC1=NCCS1.
What is the InChIKey of 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is IORHFETYGCWYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-15-9-5-4-8-14(15)18(25)22-16(13-6-2-1-3-7-13)12-17(24)23-19-21-10-11-26-19/h1-9,16H,10-12H2,(H,22,25)(H,21,23,24).
What are the key properties of 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 387.89 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 4297303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).