N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

C14H15N3OS2 — CID 2862715

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCCSc1nnc(NC(=O)C2CC2c2ccccc2)s1
InChIInChI=1S/C14H15N3OS2/c1-2-19-14-17-16-13(20-14)15-12(18)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,15,16,18)
InChIKeyVHYZQFNMTYVMAZ-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.39
Rot. Bonds5

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2862715) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2862715
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCCSc1nnc(NC(=O)C2CC2c2ccccc2)s1
InChIInChI=1S/C14H15N3OS2/c1-2-19-14-17-16-13(20-14)15-12(18)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,15,16,18)
InChIKeyVHYZQFNMTYVMAZ-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 803498
N-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 1227914
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 7095467
Acetamide, N-(5-((phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)-
CID 101472
2-(3-Phenylpropionylamino)-1,3,4-thiadiazole-5-sulfonamide
CID 54430554
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 975548
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3120394
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 3158290
Methyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)acetate
CID 8438755
N-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 3771982
2-phenyl-N-[5-(2-sulfanylideneethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 57149559

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (CID 2862715) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is CCSc1nnc(NC(=O)C2CC2c2ccccc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is VHYZQFNMTYVMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-2-19-14-17-16-13(20-14)15-12(18)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,15,16,18).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2862715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).