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

C13H13N3O2S2 — CID 63048380

IUPAC[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C13H13N3O2S2/c17-12(10-1-6-19-7-10)15-2-4-16(5-3-15)13(18)11-8-20-9-14-11/h1,6-9H,2-5H2
InChIKeyVPHPFVHOMKVONR-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.80
Rot. Bonds2

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

[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 63048380) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID63048380
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C13H13N3O2S2/c17-12(10-1-6-19-7-10)15-2-4-16(5-3-15)13(18)11-8-20-9-14-11/h1,6-9H,2-5H2
InChIKeyVPHPFVHOMKVONR-UHFFFAOYSA-N
XLogP1.80
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 48573949
1,3-Thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472737
[(3aS,6aS)-1-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-thiophen-3-ylmethanone
CID 97508565
2-(1,3-Thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 138034147
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86997213
(4-(((4-Methylthiazol-2-yl)thio)methyl)piperidin-1-yl)(thiophen-3-yl)methanone
CID 71800795
N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide
CID 69189537
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8346155
Piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 8868834
methyl (2S)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate
CID 9084223
methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate
CID 9084225
[4-(Thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 9182078

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 63048380) is [4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(C(=O)c2cscn2)CC1.
What is the InChIKey of [4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is VPHPFVHOMKVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c17-12(10-1-6-19-7-10)15-2-4-16(5-3-15)13(18)11-8-20-9-14-11/h1,6-9H,2-5H2.
What are the key properties of [4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 307.40 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 63048380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).