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

C9H12N4O2S — CID 66378570

IUPAC4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
SMILESNCc1nc(C(=O)N2CCNC(=O)C2)cs1
InChIInChI=1S/C9H12N4O2S/c10-3-8-12-6(5-16-8)9(15)13-2-1-11-7(14)4-13/h5H,1-4,10H2,(H,11,14)
InChIKeySOVYFCQUIJWWPS-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.83
Rot. Bonds2

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

4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one (PubChem CID 66378570) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
PubChem CID66378570
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
SMILESNCc1nc(C(=O)N2CCNC(=O)C2)cs1
InChIInChI=1S/C9H12N4O2S/c10-3-8-12-6(5-16-8)9(15)13-2-1-11-7(14)4-13/h5H,1-4,10H2,(H,11,14)
InChIKeySOVYFCQUIJWWPS-UHFFFAOYSA-N
XLogP-0.83
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 47123816
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 62897938
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409151
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[2-(aminomethyl)-1,3-thiazol-4-yl]-(8-azaspiro[4.5]decan-8-yl)methanone
CID 66379254
4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 36758301
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
4-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90509889
4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90510333
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one (CID 66378570) is 4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one is NCc1nc(C(=O)N2CCNC(=O)C2)cs1.
What is the InChIKey of 4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one?
The InChIKey is SOVYFCQUIJWWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c10-3-8-12-6(5-16-8)9(15)13-2-1-11-7(14)4-13/h5H,1-4,10H2,(H,11,14).
What are the key properties of 4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one?
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one has a molecular weight of 240.29 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 66378570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).