3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide

C12H12N4O2S2 — CID 134161663

IUPAC3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C12H12N4O2S2/c17-10-8-15(11(18)14-9-2-1-6-19-9)4-5-16(10)12-13-3-7-20-12/h1-3,6-7H,4-5,8H2,(H,14,18)
InChIKeyPIDOKTFIGMFAGL-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.09
Rot. Bonds2

About 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide

3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 134161663) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID134161663
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC Name3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C12H12N4O2S2/c17-10-8-15(11(18)14-9-2-1-6-19-9)4-5-16(10)12-13-3-7-20-12/h1-3,6-7H,4-5,8H2,(H,14,18)
InChIKeyPIDOKTFIGMFAGL-UHFFFAOYSA-N
XLogP2.09
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134161199
4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134161279
2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 134160727
1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 134160669
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134160705
N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 43468985
4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
CID 90558841
4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122343979
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
CID 108889284
N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide
CID 139004741
2-chloro-N-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 122162065
1-methyl-3-(1,3-thiazol-2-yl)imidazolidin-2-one
CID 69187267

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide (CID 134161663) is 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide is O=C(Nc1cccs1)N1CCN(c2nccs2)C(=O)C1.
What is the InChIKey of 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is PIDOKTFIGMFAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c17-10-8-15(11(18)14-9-2-1-6-19-9)4-5-16(10)12-13-3-7-20-12/h1-3,6-7H,4-5,8H2,(H,14,18).
What are the key properties of 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 134161663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).