3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide

C19H17ClN2OS2 — CID 60556784

IUPAC3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17ClN2OS2/c20-15-6-8-16(9-7-15)24-11-10-18(23)21-12-19-22-17(13-25-19)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,23)
InChIKeyKUUKGBOAVUWLBP-UHFFFAOYSA-N
MW388.95 g/mol
LogP5.26
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 60556784) has the molecular formula C19H17ClN2OS2 and a molecular weight of 388.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID60556784
Molecular FormulaC19H17ClN2OS2
Molecular Weight388.95 g/mol
Exact Mass388.05
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17ClN2OS2/c20-15-6-8-16(9-7-15)24-11-10-18(23)21-12-19-22-17(13-25-19)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,23)
InChIKeyKUUKGBOAVUWLBP-UHFFFAOYSA-N
XLogP5.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.95
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide (CID 60556784) is 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide is O=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is KUUKGBOAVUWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS2/c20-15-6-8-16(9-7-15)24-11-10-18(23)21-12-19-22-17(13-25-19)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 388.95 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 60556784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).