(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

C11H10ClN3OS — CID 7092310

IUPAC(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@H](Cl)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C11H10ClN3OS/c1-7(12)9(16)13-11-15-14-10(17-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15,16)/t7-/m0/s1
InChIKeyURBGBDSONZTQIN-ZETCQYMHSA-N
MW267.74 g/mol
LogP2.77
Rot. Bonds3

About (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 7092310) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID7092310
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@H](Cl)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C11H10ClN3OS/c1-7(12)9(16)13-11-15-14-10(17-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15,16)/t7-/m0/s1
InChIKeyURBGBDSONZTQIN-ZETCQYMHSA-N
XLogP2.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.77
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

(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
(2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 28732473
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
CID 3463446
2-(2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202145
2-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
CID 7494981
3-(2-chloropropanoylamino)-4-(difluoromethoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 90462881
(2R)-2-(tert-butylcarbamoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7328861
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 139078628
(2S)-2-(4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92546674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (CID 7092310) is (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is C[C@H](Cl)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is URBGBDSONZTQIN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7(12)9(16)13-11-15-14-10(17-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 267.74 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 7092310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).