(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide

C15H16ClN3O2S — CID 46388467

IUPAC(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)NCc1cscn1
InChIInChI=1S/C15H16ClN3O2S/c1-10(15(21)17-7-13-8-22-9-18-13)19-14(20)6-11-2-4-12(16)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,17,21)(H,19,20)/t10-/m1/s1
InChIKeyUQPCDNGZTDPZAH-SNVBAGLBSA-N
MW337.83 g/mol
LogP2.16
Rot. Bonds6

About (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide

(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 46388467) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID46388467
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)NCc1cscn1
InChIInChI=1S/C15H16ClN3O2S/c1-10(15(21)17-7-13-8-22-9-18-13)19-14(20)6-11-2-4-12(16)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,17,21)(H,19,20)/t10-/m1/s1
InChIKeyUQPCDNGZTDPZAH-SNVBAGLBSA-N
XLogP2.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide
CID 46388457
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082
4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388432
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55555197
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 77020366
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 75191814
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 46388558
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 46388467) is (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide is C[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)NCc1cscn1.
What is the InChIKey of (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is UQPCDNGZTDPZAH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-10(15(21)17-7-13-8-22-9-18-13)19-14(20)6-11-2-4-12(16)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,17,21)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide?
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 337.83 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 46388467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).