3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide

C14H14ClN3O2S — CID 46388457

IUPAC3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)NCc1cscn1
InChIInChI=1S/C14H14ClN3O2S/c1-9(13(19)16-6-12-7-21-8-17-12)18-14(20)10-3-2-4-11(15)5-10/h2-5,7-9H,6H2,1H3,(H,16,19)(H,18,20)/t9-/m1/s1
InChIKeyYLGPRTPCCFDCSY-SECBINFHSA-N
MW323.81 g/mol
LogP2.23
Rot. Bonds5

About 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide

3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide (PubChem CID 46388457) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide
PubChem CID46388457
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)NCc1cscn1
InChIInChI=1S/C14H14ClN3O2S/c1-9(13(19)16-6-12-7-21-8-17-12)18-14(20)10-3-2-4-11(15)5-10/h2-5,7-9H,6H2,1H3,(H,16,19)(H,18,20)/t9-/m1/s1
InChIKeyYLGPRTPCCFDCSY-SECBINFHSA-N
XLogP2.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-chloro-N-propan-2-ylbenzamide
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3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
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3-chloro-N-(5-chloropentan-2-yl)benzamide
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5-chloro-2-hydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49345861
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2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide (CID 46388457) is 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide is C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)NCc1cscn1.
What is the InChIKey of 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide?
The InChIKey is YLGPRTPCCFDCSY-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-9(13(19)16-6-12-7-21-8-17-12)18-14(20)10-3-2-4-11(15)5-10/h2-5,7-9H,6H2,1H3,(H,16,19)(H,18,20)/t9-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide?
3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide has a molecular weight of 323.81 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 46388457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).