N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

C17H23N5OS — CID 110458833

IUPACN-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCCc1nc2c(s1)CCCC2)c1n[nH]c2c1CNCC2
InChIInChI=1S/C17H23N5OS/c23-17(16-11-10-18-9-7-12(11)21-22-16)19-8-3-6-15-20-13-4-1-2-5-14(13)24-15/h18H,1-10H2,(H,19,23)(H,21,22)
InChIKeyOAZNKTOGGQAYLK-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.75
Rot. Bonds5

About N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 110458833) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID110458833
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCCc1nc2c(s1)CCCC2)c1n[nH]c2c1CNCC2
InChIInChI=1S/C17H23N5OS/c23-17(16-11-10-18-9-7-12(11)21-22-16)19-8-3-6-15-20-13-4-1-2-5-14(13)24-15/h18H,1-10H2,(H,19,23)(H,21,22)
InChIKeyOAZNKTOGGQAYLK-UHFFFAOYSA-N
XLogP1.75
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 110458833) is N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCCCc1nc2c(s1)CCCC2)c1n[nH]c2c1CNCC2.
What is the InChIKey of N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is OAZNKTOGGQAYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c23-17(16-11-10-18-9-7-12(11)21-22-16)19-8-3-6-15-20-13-4-1-2-5-14(13)24-15/h18H,1-10H2,(H,19,23)(H,21,22).
What are the key properties of N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 110458833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).