5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid

C13H13N3O3S2 — CID 43414558

IUPAC5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C13H13N3O3S2/c17-11(9-1-2-10(21-9)12(18)19)15-4-6-16(7-5-15)13-14-3-8-20-13/h1-3,8H,4-7H2,(H,18,19)
InChIKeyCZDPBXBTALYBAC-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.87
Rot. Bonds3

About 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid

5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid (PubChem CID 43414558) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
PubChem CID43414558
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C13H13N3O3S2/c17-11(9-1-2-10(21-9)12(18)19)15-4-6-16(7-5-15)13-14-3-8-20-13/h1-3,8H,4-7H2,(H,18,19)
InChIKeyCZDPBXBTALYBAC-UHFFFAOYSA-N
XLogP1.87
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 39855862
4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 18138912
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 104740876
(6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 60858865
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18143112
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 43582548

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid (CID 43414558) is 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCN(c3nccs3)CC2)s1.
What is the InChIKey of 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is CZDPBXBTALYBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c17-11(9-1-2-10(21-9)12(18)19)15-4-6-16(7-5-15)13-14-3-8-20-13/h1-3,8H,4-7H2,(H,18,19).
What are the key properties of 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid?
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43414558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).