(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C16H18N8OS — CID 97428830

IUPAC(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)sn1
InChIInChI=1S/C16H18N8OS/c1-11-7-15(26-22-11)19-16(25)12-3-2-6-23(8-12)13-4-5-14(21-20-13)24-10-17-9-18-24/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,19,25)/t12-/m0/s1
InChIKeyNEPIHFCAHJCACQ-LBPRGKRZSA-N
MW370.44 g/mol
LogP1.68
Rot. Bonds4

About (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 97428830) has the molecular formula C16H18N8OS and a molecular weight of 370.44 g/mol. Its IUPAC name is (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID97428830
Molecular FormulaC16H18N8OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC Name(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)sn1
InChIInChI=1S/C16H18N8OS/c1-11-7-15(26-22-11)19-16(25)12-3-2-6-23(8-12)13-4-5-14(21-20-13)24-10-17-9-18-24/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,19,25)/t12-/m0/s1
InChIKeyNEPIHFCAHJCACQ-LBPRGKRZSA-N
XLogP1.68
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
CID 56724499
N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 56764961
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(3-methylisothiazol-5-yl)piperidine-4-carboxamide
CID 71810848
1-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)piperidine-3-carboxamide
CID 71810935
1-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
CID 71810934
1-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl)-N-(4,5-dimethylthiazol-2-yl)piperidine-3-carboxamide
CID 71810936
1-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-4-carboxamide
CID 52907587
(3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907670
(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907671
1-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
CID 52993002
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-[6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 71810930
1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-4-carboxamide
CID 90514354

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 97428830) is (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1cc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)sn1.
What is the InChIKey of (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is NEPIHFCAHJCACQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N8OS/c1-11-7-15(26-22-11)19-16(25)12-3-2-6-23(8-12)13-4-5-14(21-20-13)24-10-17-9-18-24/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,19,25)/t12-/m0/s1.
What are the key properties of (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 370.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 97428830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).