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

C20H17N5OS — CID 55979153

IUPACN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C20H17N5OS/c26-18(23-20-25-24-19(27-20)16-10-3-4-11-21-16)14-8-5-7-13-12-6-1-2-9-15(12)22-17(13)14/h3-5,7-8,10-11,22H,1-2,6,9H2,(H,23,25,26)
InChIKeyTUOLVKBVINUVLM-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-1-carboxamide

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 55979153) 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-1-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID55979153
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-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C20H17N5OS/c26-18(23-20-25-24-19(27-20)16-10-3-4-11-21-16)14-8-5-7-13-12-6-1-2-9-15(12)22-17(13)14/h3-5,7-8,10-11,22H,1-2,6,9H2,(H,23,25,26)
InChIKeyTUOLVKBVINUVLM-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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Related Compounds

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 55979033
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 167744287
N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 154801796
2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 167956308
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60549922
2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167988705
N-(6-methoxy-3-pyridinyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34977108
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47857402
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34985328
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46477911
N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34979408

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-1-carboxamide?
The IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 55979153) is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-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-1-carboxamide?
The canonical SMILES for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is O=C(Nc1nnc(-c2ccccn2)s1)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is TUOLVKBVINUVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-18(23-20-25-24-19(27-20)16-10-3-4-11-21-16)14-8-5-7-13-12-6-1-2-9-15(12)22-17(13)14/h3-5,7-8,10-11,22H,1-2,6,9H2,(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-1-carboxamide?
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-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-1-carboxamide is sourced from PubChem (CID 55979153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).