[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

C13H14N4O2S2 — CID 62787900

IUPAC[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESNc1nc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cs1
InChIInChI=1S/C13H14N4O2S2/c14-13-15-10(8-21-13)12(19)17-4-2-16(3-5-17)11(18)9-1-6-20-7-9/h1,6-8H,2-5H2,(H2,14,15)
InChIKeyHFDHTEOHFFZCSZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.38
Rot. Bonds2

About [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 62787900) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID62787900
Molecular FormulaC13H14N4O2S2
Molecular Weight322.41 g/mol
Exact Mass322.06
IUPAC Name[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESNc1nc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cs1
InChIInChI=1S/C13H14N4O2S2/c14-13-15-10(8-21-13)12(19)17-4-2-16(3-5-17)11(18)9-1-6-20-7-9/h1,6-8H,2-5H2,(H2,14,15)
InChIKeyHFDHTEOHFFZCSZ-UHFFFAOYSA-N
XLogP1.38
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120624522
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181949
(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 62788252
3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 62787216
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62787759
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408809

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 62787900) is [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is Nc1nc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cs1.
What is the InChIKey of [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is HFDHTEOHFFZCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c14-13-15-10(8-21-13)12(19)17-4-2-16(3-5-17)11(18)9-1-6-20-7-9/h1,6-8H,2-5H2,(H2,14,15).
What are the key properties of [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 62787900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).