N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide

C19H21N5OS — CID 154764390

IUPACN-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
SMILESCN1CCc2[nH]c3ccc(C(=O)Nc4nc(CC5CC5)ns4)cc3c2C1
InChIInChI=1S/C19H21N5OS/c1-24-7-6-16-14(10-24)13-9-12(4-5-15(13)20-16)18(25)22-19-21-17(23-26-19)8-11-2-3-11/h4-5,9,11,20H,2-3,6-8,10H2,1H3,(H,21,22,23,25)
InChIKeyNOTCHFWFHFBAIS-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.21
Rot. Bonds4

About N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide

N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide (PubChem CID 154764390) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
PubChem CID154764390
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
SMILESCN1CCc2[nH]c3ccc(C(=O)Nc4nc(CC5CC5)ns4)cc3c2C1
InChIInChI=1S/C19H21N5OS/c1-24-7-6-16-14(10-24)13-9-12(4-5-15(13)20-16)18(25)22-19-21-17(23-26-19)8-11-2-3-11/h4-5,9,11,20H,2-3,6-8,10H2,1H3,(H,21,22,23,25)
InChIKeyNOTCHFWFHFBAIS-UHFFFAOYSA-N
XLogP3.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide (CID 154764390) is N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide is CN1CCc2[nH]c3ccc(C(=O)Nc4nc(CC5CC5)ns4)cc3c2C1.
What is the InChIKey of N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?
The InChIKey is NOTCHFWFHFBAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-24-7-6-16-14(10-24)13-9-12(4-5-15(13)20-16)18(25)22-19-21-17(23-26-19)8-11-2-3-11/h4-5,9,11,20H,2-3,6-8,10H2,1H3,(H,21,22,23,25).
What are the key properties of N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?
N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide is sourced from PubChem (CID 154764390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).