4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide

C18H24N6O2S — CID 126913340

IUPAC4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)N1CCN(CCn2ncccc2=O)CC1
InChIInChI=1S/C18H24N6O2S/c25-16-6-3-7-19-24(16)13-10-22-8-11-23(12-9-22)18(26)21-17-20-14-4-1-2-5-15(14)27-17/h3,6-7H,1-2,4-5,8-13H2,(H,20,21,26)
InChIKeyBHQKLVCYQHQATO-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.43
Rot. Bonds4

About 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide

4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide (PubChem CID 126913340) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
PubChem CID126913340
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)N1CCN(CCn2ncccc2=O)CC1
InChIInChI=1S/C18H24N6O2S/c25-16-6-3-7-19-24(16)13-10-22-8-11-23(12-9-22)18(26)21-17-20-14-4-1-2-5-15(14)27-17/h3,6-7H,1-2,4-5,8-13H2,(H,20,21,26)
InChIKeyBHQKLVCYQHQATO-UHFFFAOYSA-N
XLogP1.43
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide (CID 126913340) is 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nc2c(s1)CCCC2)N1CCN(CCn2ncccc2=O)CC1.
What is the InChIKey of 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is BHQKLVCYQHQATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c25-16-6-3-7-19-24(16)13-10-22-8-11-23(12-9-22)18(26)21-17-20-14-4-1-2-5-15(14)27-17/h3,6-7H,1-2,4-5,8-13H2,(H,20,21,26).
What are the key properties of 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide?
4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-oxopyridazin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126913340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).