(2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide

C13H14ClN3OS — CID 28732473

IUPAC(2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESC[C@@H](Cl)C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C13H14ClN3OS/c1-9(14)12(18)15-13-17-16-11(19-13)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,17,18)/t9-/m1/s1
InChIKeyKIGYVQBWZOBGSA-SECBINFHSA-N
MW295.80 g/mol
LogP2.89
Rot. Bonds5

About (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide

(2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 28732473) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID28732473
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name(2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESC[C@@H](Cl)C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C13H14ClN3OS/c1-9(14)12(18)15-13-17-16-11(19-13)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,17,18)/t9-/m1/s1
InChIKeyKIGYVQBWZOBGSA-SECBINFHSA-N
XLogP2.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-phenoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7322515
(2S)-2-chloro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 28732755
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
2-hydroxy-N-[5-[4-[5-[(2-hydroxy-3-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 74982436
(2R)-2-chloro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 92660576
N'-hydroxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]hexanediamide
CID 56944798
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 2979206
3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3884704
3-methyl-2-[(2-phenylacetyl)amino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 55360781
N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 17321306
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 28732473) is (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide is C[C@@H](Cl)C(=O)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is KIGYVQBWZOBGSA-SECBINFHSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-9(14)12(18)15-13-17-16-11(19-13)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
(2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 295.80 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 28732473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).