N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C18H21N3O2S — CID 97063872

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H21N3O2S/c1-23-14-7-8-15-12(9-14)3-2-4-13(15)10-16(22)19-18-21-20-17(24-18)11-5-6-11/h7-9,11,13H,2-6,10H2,1H3,(H,19,21,22)/t13-/m0/s1
InChIKeyMALHZWOKPOWSGJ-ZDUSSCGKSA-N
MW343.45 g/mol
LogP3.87
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 97063872) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID97063872
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H21N3O2S/c1-23-14-7-8-15-12(9-14)3-2-4-13(15)10-16(22)19-18-21-20-17(24-18)11-5-6-11/h7-9,11,13H,2-6,10H2,1H3,(H,19,21,22)/t13-/m0/s1
InChIKeyMALHZWOKPOWSGJ-ZDUSSCGKSA-N
XLogP3.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 97063872) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is MALHZWOKPOWSGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-23-14-7-8-15-12(9-14)3-2-4-13(15)10-16(22)19-18-21-20-17(24-18)11-5-6-11/h7-9,11,13H,2-6,10H2,1H3,(H,19,21,22)/t13-/m0/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 97063872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).