4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one

C13H13N5O2S — CID 90510333

IUPAC4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2csc(Nc3cccnc3)n2)CCN1
InChIInChI=1S/C13H13N5O2S/c19-11-7-18(5-4-15-11)12(20)10-8-21-13(17-10)16-9-2-1-3-14-6-9/h1-3,6,8H,4-5,7H2,(H,15,19)(H,16,17)
InChIKeyXTLVABOUXDZHOA-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.85
Rot. Bonds3

About 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one

4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one (PubChem CID 90510333) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
PubChem CID90510333
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2csc(Nc3cccnc3)n2)CCN1
InChIInChI=1S/C13H13N5O2S/c19-11-7-18(5-4-15-11)12(20)10-8-21-13(17-10)16-9-2-1-3-14-6-9/h1-3,6,8H,4-5,7H2,(H,15,19)(H,16,17)
InChIKeyXTLVABOUXDZHOA-UHFFFAOYSA-N
XLogP0.85
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90509889
ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 90510175
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510179
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510150
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510328
4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 47123816
[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90510362
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 66378570
1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
CID 136516092
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510250
(2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131696575
4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 36758301

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one (CID 90510333) is 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2csc(Nc3cccnc3)n2)CCN1.
What is the InChIKey of 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one?
The InChIKey is XTLVABOUXDZHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c19-11-7-18(5-4-15-11)12(20)10-8-21-13(17-10)16-9-2-1-3-14-6-9/h1-3,6,8H,4-5,7H2,(H,15,19)(H,16,17).
What are the key properties of 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one?
4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one has a molecular weight of 303.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 90510333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).