N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C17H22N4O2S — CID 47070900

IUPACN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc3c(s2)CCCCCC3)ccc1=O
InChIInChI=1S/C17H22N4O2S/c1-2-11-21-15(22)10-9-13(20-21)16(23)19-17-18-12-7-5-3-4-6-8-14(12)24-17/h9-10H,2-8,11H2,1H3,(H,18,19,23)
InChIKeyNOLGCJUENVPUQS-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.02
Rot. Bonds4

About N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 47070900) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID47070900
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc3c(s2)CCCCCC3)ccc1=O
InChIInChI=1S/C17H22N4O2S/c1-2-11-21-15(22)10-9-13(20-21)16(23)19-17-18-12-7-5-3-4-6-8-14(12)24-17/h9-10H,2-8,11H2,1H3,(H,18,19,23)
InChIKeyNOLGCJUENVPUQS-UHFFFAOYSA-N
XLogP3.02
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 47070900) is N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2nc3c(s2)CCCCCC3)ccc1=O.
What is the InChIKey of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is NOLGCJUENVPUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-11-21-15(22)10-9-13(20-21)16(23)19-17-18-12-7-5-3-4-6-8-14(12)24-17/h9-10H,2-8,11H2,1H3,(H,18,19,23).
What are the key properties of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 47070900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).