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

C17H23N5OS — CID 51081128

IUPAC[2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)cs1
InChIInChI=1S/C17H23N5OS/c1-13-19-15(12-24-13)11-21-6-8-22(9-7-21)17(23)14-4-5-18-16(10-14)20(2)3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeySXUMYOOBEHHWBN-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.87
Rot. Bonds4

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

[2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 51081128) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is [2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID51081128
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name[2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)cs1
InChIInChI=1S/C17H23N5OS/c1-13-19-15(12-24-13)11-21-6-8-22(9-7-21)17(23)14-4-5-18-16(10-14)20(2)3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeySXUMYOOBEHHWBN-UHFFFAOYSA-N
XLogP1.87
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 51081128) is [2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)cs1.
What is the InChIKey of [2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is SXUMYOOBEHHWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-19-15(12-24-13)11-21-6-8-22(9-7-21)17(23)14-4-5-18-16(10-14)20(2)3/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of [2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
[2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51081128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).