(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C13H15ClN6OS — CID 51983350

IUPAC(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)s1
InChIInChI=1S/C13H15ClN6OS/c1-8-16-19-13(22-8)15-12(21)9-3-2-6-20(7-9)11-5-4-10(14)17-18-11/h4-5,9H,2-3,6-7H2,1H3,(H,15,19,21)/t9-/m1/s1
InChIKeyGGAHKNBMDSTLMK-SECBINFHSA-N
MW338.82 g/mol
LogP2.15
Rot. Bonds3

About (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51983350) has the molecular formula C13H15ClN6OS and a molecular weight of 338.82 g/mol. Its IUPAC name is (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID51983350
Molecular FormulaC13H15ClN6OS
Molecular Weight338.82 g/mol
Exact Mass338.07
IUPAC Name(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)s1
InChIInChI=1S/C13H15ClN6OS/c1-8-16-19-13(22-8)15-12(21)9-3-2-6-20(7-9)11-5-4-10(14)17-18-11/h4-5,9H,2-3,6-7H2,1H3,(H,15,19,21)/t9-/m1/s1
InChIKeyGGAHKNBMDSTLMK-SECBINFHSA-N
XLogP2.15
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51983348
(3S)-1-(6-chloropyridazin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 94162895
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 51956458
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 7436330
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide
CID 96557312
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
(3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955118
(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 95808037
cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 167817663
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955070

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 51983350) is (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is Cc1nnc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)s1.
What is the InChIKey of (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is GGAHKNBMDSTLMK-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN6OS/c1-8-16-19-13(22-8)15-12(21)9-3-2-6-20(7-9)11-5-4-10(14)17-18-11/h4-5,9H,2-3,6-7H2,1H3,(H,15,19,21)/t9-/m1/s1.
What are the key properties of (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51983350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).