(3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide

C14H16N8OS — CID 97263839

IUPAC(3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CCCN(c3ccc4nnnn4n3)C2)s1
InChIInChI=1S/C14H16N8OS/c1-9-7-15-14(24-9)16-13(23)10-3-2-6-21(8-10)12-5-4-11-17-19-20-22(11)18-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16,23)/t10-/m0/s1
InChIKeyPWOYAGIUTXAUIX-JTQLQIEISA-N
MW344.40 g/mol
LogP1.14
Rot. Bonds3

About (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide

(3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide (PubChem CID 97263839) has the molecular formula C14H16N8OS and a molecular weight of 344.40 g/mol. Its IUPAC name is (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide
PubChem CID97263839
Molecular FormulaC14H16N8OS
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Name(3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CCCN(c3ccc4nnnn4n3)C2)s1
InChIInChI=1S/C14H16N8OS/c1-9-7-15-14(24-9)16-13(23)10-3-2-6-21(8-10)12-5-4-11-17-19-20-22(11)18-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16,23)/t10-/m0/s1
InChIKeyPWOYAGIUTXAUIX-JTQLQIEISA-N
XLogP1.14
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide (CID 97263839) is (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide is Cc1cnc(NC(=O)[C@H]2CCCN(c3ccc4nnnn4n3)C2)s1.
What is the InChIKey of (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide?
The InChIKey is PWOYAGIUTXAUIX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N8OS/c1-9-7-15-14(24-9)16-13(23)10-3-2-6-21(8-10)12-5-4-11-17-19-20-22(11)18-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16,23)/t10-/m0/s1.
What are the key properties of (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide?
(3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97263839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).