N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C20H17N5OS — CID 55979033

IUPACN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H17N5OS/c26-18(23-20-25-24-19(27-20)17-7-3-4-10-21-17)12-8-9-16-14(11-12)13-5-1-2-6-15(13)22-16/h3-4,7-11,22H,1-2,5-6H2,(H,23,25,26)
InChIKeyVQBDZPIKTWSPAJ-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.21
Rot. Bonds3

About N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 55979033) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID55979033
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H17N5OS/c26-18(23-20-25-24-19(27-20)17-7-3-4-10-21-17)12-8-9-16-14(11-12)13-5-1-2-6-15(13)22-16/h3-4,7-11,22H,1-2,5-6H2,(H,23,25,26)
InChIKeyVQBDZPIKTWSPAJ-UHFFFAOYSA-N
XLogP4.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.21
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-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 55979033) is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(Nc1nnc(-c2ccccn2)s1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is VQBDZPIKTWSPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-18(23-20-25-24-19(27-20)17-7-3-4-10-21-17)12-8-9-16-14(11-12)13-5-1-2-6-15(13)22-16/h3-4,7-11,22H,1-2,5-6H2,(H,23,25,26).
What are the key properties of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 55979033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).