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

C11H11N5OS — CID 167873317

IUPACN-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide
SMILESO=C(Nc1nncs1)c1cnc2c(n1)CCCC2
InChIInChI=1S/C11H11N5OS/c17-10(15-11-16-13-6-18-11)9-5-12-7-3-1-2-4-8(7)14-9/h5-6H,1-4H2,(H,15,16,17)
InChIKeyGCYUATKRQSOKIY-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.46
Rot. Bonds2

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

N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide (PubChem CID 167873317) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide
PubChem CID167873317
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC NameN-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide
SMILESO=C(Nc1nncs1)c1cnc2c(n1)CCCC2
InChIInChI=1S/C11H11N5OS/c17-10(15-11-16-13-6-18-11)9-5-12-7-3-1-2-4-8(7)14-9/h5-6H,1-4H2,(H,15,16,17)
InChIKeyGCYUATKRQSOKIY-UHFFFAOYSA-N
XLogP1.46
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide (CID 167873317) is N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide is O=C(Nc1nncs1)c1cnc2c(n1)CCCC2.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is GCYUATKRQSOKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c17-10(15-11-16-13-6-18-11)9-5-12-7-3-1-2-4-8(7)14-9/h5-6H,1-4H2,(H,15,16,17).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide?
N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 167873317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).