(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide

C14H14ClN3O2S — CID 2667682

IUPAC(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H14ClN3O2S/c1-8(20-11-6-4-10(15)5-7-11)12(19)16-14-18-17-13(21-14)9-2-3-9/h4-9H,2-3H2,1H3,(H,16,18,19)/t8-/m1/s1
InChIKeyDQJLMIRWKAICKH-MRVPVSSYSA-N
MW323.81 g/mol
LogP3.47
Rot. Bonds5

About (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 2667682) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID2667682
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H14ClN3O2S/c1-8(20-11-6-4-10(15)5-7-11)12(19)16-14-18-17-13(21-14)9-2-3-9/h4-9H,2-3H2,1H3,(H,16,18,19)/t8-/m1/s1
InChIKeyDQJLMIRWKAICKH-MRVPVSSYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17218012
(2S)-2-(4-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 8503003
(2R)-2-(4-chlorophenoxy)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100584231
(2S)-2-(4-chlorophenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100772933
(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2678069
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19191706
1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
CID 808855
(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7346755
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2992863
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)propanamide
CID 51258071

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide (CID 2667682) is (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is DQJLMIRWKAICKH-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-8(20-11-6-4-10(15)5-7-11)12(19)16-14-18-17-13(21-14)9-2-3-9/h4-9H,2-3H2,1H3,(H,16,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 323.81 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 2667682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).