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

C14H16ClN5OS — CID 51983348

IUPAC(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)s1
InChIInChI=1S/C14H16ClN5OS/c1-9-7-16-14(22-9)17-13(21)10-3-2-6-20(8-10)12-5-4-11(15)18-19-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,17,21)/t10-/m1/s1
InChIKeyFUTCNMNTZGRKGB-SNVBAGLBSA-N
MW337.84 g/mol
LogP2.75
Rot. Bonds3

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

(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51983348) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID51983348
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC Name(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)s1
InChIInChI=1S/C14H16ClN5OS/c1-9-7-16-14(22-9)17-13(21)10-3-2-6-20(8-10)12-5-4-11(15)18-19-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,17,21)/t10-/m1/s1
InChIKeyFUTCNMNTZGRKGB-SNVBAGLBSA-N
XLogP2.75
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
(3S)-1-(6-chloropyridazin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 94162895
(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-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 51956458
(3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955118
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 96557217
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
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 51983822
methyl 2-[[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 90601265
(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-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 51983348) is (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1cnc(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-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is FUTCNMNTZGRKGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClN5OS/c1-9-7-16-14(22-9)17-13(21)10-3-2-6-20(8-10)12-5-4-11(15)18-19-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,17,21)/t10-/m1/s1.
What are the key properties of (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 337.84 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51983348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).