(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone

C8H12N4OS — CID 117214816

IUPAC(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone
SMILESNc1scnc1C(=O)N1CCNCC1
InChIInChI=1S/C8H12N4OS/c9-7-6(11-5-14-7)8(13)12-3-1-10-2-4-12/h5,10H,1-4,9H2
InChIKeyAGKRZIXSVOPJPT-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.23
Rot. Bonds1

About (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone

(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 117214816) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone
PubChem CID117214816
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone
SMILESNc1scnc1C(=O)N1CCNCC1
InChIInChI=1S/C8H12N4OS/c9-7-6(11-5-14-7)8(13)12-3-1-10-2-4-12/h5,10H,1-4,9H2
InChIKeyAGKRZIXSVOPJPT-UHFFFAOYSA-N
XLogP-0.23
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
CID 117218069
(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 66771808
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 116662866
(6-amino-2-pyridinyl)-piperazin-1-ylmethanone
CID 82507133
(2-aminopyrimidin-5-yl) piperazine-1-carboxylate
CID 130176333
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone
CID 82509550
piperazin-1-yl-[3-(sulfanylmethyl)-2-pyridinyl]methanone
CID 82510958
(5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone
CID 117213403
piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 43522513
1,3-oxazol-2-yl(piperazin-1-yl)methanone
CID 83617555

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone (CID 117214816) is (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone is Nc1scnc1C(=O)N1CCNCC1.
What is the InChIKey of (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is AGKRZIXSVOPJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-7-6(11-5-14-7)8(13)12-3-1-10-2-4-12/h5,10H,1-4,9H2.
What are the key properties of (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone?
(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 212.28 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 117214816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).