N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide

C15H14N4OS — CID 2125753

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H14N4OS/c20-13(17-15-19-18-14(21-15)9-5-6-9)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8-9,16H,5-7H2,(H,17,19,20)
InChIKeyBVAPHKYHBYRPSS-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.08
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 2125753) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID2125753
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H14N4OS/c20-13(17-15-19-18-14(21-15)9-5-6-9)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8-9,16H,5-7H2,(H,17,19,20)
InChIKeyBVAPHKYHBYRPSS-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide (CID 2125753) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is BVAPHKYHBYRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-13(17-15-19-18-14(21-15)9-5-6-9)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8-9,16H,5-7H2,(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 2125753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).