[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C15H19N5OS — CID 56817493

IUPAC[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H19N5OS/c1-18(2)13-12(4-3-5-16-13)14(21)19-7-9-20(10-8-19)15-17-6-11-22-15/h3-6,11H,7-10H2,1-2H3
InChIKeyPSQMYTGALJBEJF-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.57
Rot. Bonds3

About [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 56817493) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID56817493
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H19N5OS/c1-18(2)13-12(4-3-5-16-13)14(21)19-7-9-20(10-8-19)15-17-6-11-22-15/h3-6,11H,7-10H2,1-2H3
InChIKeyPSQMYTGALJBEJF-UHFFFAOYSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-propan-2-ylsulfanyl-3-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47039184
N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
CID 51315470
(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 104740876
[2-(dimethylamino)-3-pyridinyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 110301269
(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37026329
tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 110312079
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62511266
[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134044933
(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 41433639

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 56817493) is [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is CN(C)c1ncccc1C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is PSQMYTGALJBEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-18(2)13-12(4-3-5-16-13)14(21)19-7-9-20(10-8-19)15-17-6-11-22-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 317.42 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56817493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).