N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide

C20H24N4OS2 — CID 27987793

IUPACN-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1nnc(NCC(C)C)s1)c1cccc2ccccc12
InChIInChI=1S/C20H24N4OS2/c1-4-24(17-11-7-9-15-8-5-6-10-16(15)17)18(25)13-26-20-23-22-19(27-20)21-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyMQZWIYQJKROLNJ-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.90
Rot. Bonds8

About N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide

N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 27987793) has the molecular formula C20H24N4OS2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID27987793
Molecular FormulaC20H24N4OS2
Molecular Weight400.57 g/mol
Exact Mass400.14
IUPAC NameN-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1nnc(NCC(C)C)s1)c1cccc2ccccc12
InChIInChI=1S/C20H24N4OS2/c1-4-24(17-11-7-9-15-8-5-6-10-16(15)17)18(25)13-26-20-23-22-19(27-20)21-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyMQZWIYQJKROLNJ-UHFFFAOYSA-N
XLogP4.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 43036481
N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 47944871
N-ethyl-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 42045358
1-(1H-indol-3-yl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 27987869
N-ethyl-N-phenyl-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23855952
N-cyclopentyl-N-cyclopropyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 87019093
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide
CID 2337968
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987886
2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 9379650
N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 51236974
N-acetyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379661
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis[(2R)-butan-2-yl]acetamide
CID 8848834

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide (CID 27987793) is N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide is CCN(C(=O)CSc1nnc(NCC(C)C)s1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is MQZWIYQJKROLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS2/c1-4-24(17-11-7-9-15-8-5-6-10-16(15)17)18(25)13-26-20-23-22-19(27-20)21-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 400.57 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 27987793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).