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

C10H13N5OS2 — CID 24649662

IUPACN-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1noc(CSc2nnc(NC3CC3)s2)n1
InChIInChI=1S/C10H13N5OS2/c1-2-7-12-8(16-15-7)5-17-10-14-13-9(18-10)11-6-3-4-6/h6H,2-5H2,1H3,(H,11,13)
InChIKeyBKBZCBTVUVXVJA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.35
Rot. Bonds6

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

N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 24649662) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID24649662
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC NameN-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1noc(CSc2nnc(NC3CC3)s2)n1
InChIInChI=1S/C10H13N5OS2/c1-2-7-12-8(16-15-7)5-17-10-14-13-9(18-10)11-6-3-4-6/h6H,2-5H2,1H3,(H,11,13)
InChIKeyBKBZCBTVUVXVJA-UHFFFAOYSA-N
XLogP2.35
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

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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-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 56210263
N-(2-methylpropyl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 43054800
N-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18147224
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
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 18165694
N-cyclopropyl-N-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 18166309
N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18166440
N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18166508
N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 24649685
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 24649693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 24649662) is N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCc1noc(CSc2nnc(NC3CC3)s2)n1.
What is the InChIKey of N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BKBZCBTVUVXVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-2-7-12-8(16-15-7)5-17-10-14-13-9(18-10)11-6-3-4-6/h6H,2-5H2,1H3,(H,11,13).
What are the key properties of N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24649662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).