N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

C17H15N5OS — CID 5408289

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)s1
InChIInChI=1S/C17H15N5OS/c1-3-14-21-22-17(24-14)20-16(23)13-8-11-10-6-4-5-7-12(10)19-15(11)9(2)18-13/h4-8,19H,3H2,1-2H3,(H,20,22,23)
InChIKeyMHQJUEAALACQFO-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.69
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 5408289) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID5408289
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)s1
InChIInChI=1S/C17H15N5OS/c1-3-14-21-22-17(24-14)20-16(23)13-8-11-10-6-4-5-7-12(10)19-15(11)9(2)18-13/h4-8,19H,3H2,1-2H3,(H,20,22,23)
InChIKeyMHQJUEAALACQFO-UHFFFAOYSA-N
XLogP3.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 5408289) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is CCc1nnc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is MHQJUEAALACQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-3-14-21-22-17(24-14)20-16(23)13-8-11-10-6-4-5-7-12(10)19-15(11)9(2)18-13/h4-8,19H,3H2,1-2H3,(H,20,22,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 5408289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).