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

C13H15N5OS — CID 104740876

IUPAC(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNc1cccnc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H15N5OS/c14-10-2-1-3-15-11(10)12(19)17-5-7-18(8-6-17)13-16-4-9-20-13/h1-4,9H,5-8,14H2
InChIKeyMCAINDTXQYTXGC-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.08
Rot. Bonds2

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

(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 104740876) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID104740876
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNc1cccnc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H15N5OS/c14-10-2-1-3-15-11(10)12(19)17-5-7-18(8-6-17)13-16-4-9-20-13/h1-4,9H,5-8,14H2
InChIKeyMCAINDTXQYTXGC-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56817493
(2-propan-2-ylsulfanyl-3-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47039184
4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 18138912
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
(6-hydrazinylpyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62233763
(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37026329
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 43468985
[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134044933
2-propan-2-yl-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phthalazin-1-one
CID 51306307

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 104740876) is (3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Nc1cccnc1C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of (3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is MCAINDTXQYTXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c14-10-2-1-3-15-11(10)12(19)17-5-7-18(8-6-17)13-16-4-9-20-13/h1-4,9H,5-8,14H2.
What are the key properties of (3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 289.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 104740876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).