N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

C12H15N5O2S2 — CID 18166309

IUPACN-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nnc(SCc2nc(C)no2)s1)C1CC1
InChIInChI=1S/C12H15N5O2S2/c1-3-10(18)17(8-4-5-8)11-14-15-12(21-11)20-6-9-13-7(2)16-19-9/h8H,3-6H2,1-2H3
InChIKeyURKMFLWTIUENNC-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.43
Rot. Bonds6

About N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 18166309) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID18166309
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC NameN-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nnc(SCc2nc(C)no2)s1)C1CC1
InChIInChI=1S/C12H15N5O2S2/c1-3-10(18)17(8-4-5-8)11-14-15-12(21-11)20-6-9-13-7(2)16-19-9/h8H,3-6H2,1-2H3
InChIKeyURKMFLWTIUENNC-UHFFFAOYSA-N
XLogP2.43
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

4-Cyclopropyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 53573192
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 18147284
N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18147536
N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24649662
N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 24649685
5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 31531755
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 34265632
N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 35192412
N-cyclopropyl-5-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 35192415
5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 35362802
N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 36132083
N-cyclopropyl-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 36312812

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 18166309) is N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)N(c1nnc(SCc2nc(C)no2)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is URKMFLWTIUENNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c1-3-10(18)17(8-4-5-8)11-14-15-12(21-11)20-6-9-13-7(2)16-19-9/h8H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 325.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 18166309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).