N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide

C15H16N4OS — CID 167939813

IUPACN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1nc(C2CC2)ns1)C1CCc2ncccc2C1
InChIInChI=1S/C15H16N4OS/c20-14(18-15-17-13(19-21-15)9-3-4-9)11-5-6-12-10(8-11)2-1-7-16-12/h1-2,7,9,11H,3-6,8H2,(H,17,18,19,20)
InChIKeyPJLWOJOOKITCAV-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.55
Rot. Bonds3

About N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide

N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide (PubChem CID 167939813) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide
PubChem CID167939813
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1nc(C2CC2)ns1)C1CCc2ncccc2C1
InChIInChI=1S/C15H16N4OS/c20-14(18-15-17-13(19-21-15)9-3-4-9)11-5-6-12-10(8-11)2-1-7-16-12/h1-2,7,9,11H,3-6,8H2,(H,17,18,19,20)
InChIKeyPJLWOJOOKITCAV-UHFFFAOYSA-N
XLogP2.55
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide (CID 167939813) is N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide is O=C(Nc1nc(C2CC2)ns1)C1CCc2ncccc2C1.
What is the InChIKey of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide?
The InChIKey is PJLWOJOOKITCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-14(18-15-17-13(19-21-15)9-3-4-9)11-5-6-12-10(8-11)2-1-7-16-12/h1-2,7,9,11H,3-6,8H2,(H,17,18,19,20).
What are the key properties of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide?
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 167939813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).