N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C20H21N5O2S2 — CID 30858709

IUPACN-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1cccs1
InChIInChI=1S/C20H21N5O2S2/c26-18(25-11-9-24(10-12-25)17-5-1-2-8-21-17)7-6-15-14-29-20(22-15)23-19(27)16-4-3-13-28-16/h1-5,8,13-14H,6-7,9-12H2,(H,22,23,27)
InChIKeyKWNOUUSKOMFWMN-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.13
Rot. Bonds6

About N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 30858709) has the molecular formula C20H21N5O2S2 and a molecular weight of 427.56 g/mol. Its IUPAC name is N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID30858709
Molecular FormulaC20H21N5O2S2
Molecular Weight427.56 g/mol
Exact Mass427.11
IUPAC NameN-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1cccs1
InChIInChI=1S/C20H21N5O2S2/c26-18(25-11-9-24(10-12-25)17-5-1-2-8-21-17)7-6-15-14-29-20(22-15)23-19(27)16-4-3-13-28-16/h1-5,8,13-14H,6-7,9-12H2,(H,22,23,27)
InChIKeyKWNOUUSKOMFWMN-UHFFFAOYSA-N
XLogP3.13
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17439512
6-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881703
2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881577
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3336196
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
CID 42438637
N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55441966
N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208657
3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110678855
N-[4-[2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55720912
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86862469

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 30858709) is N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1cccs1.
What is the InChIKey of N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is KWNOUUSKOMFWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S2/c26-18(25-11-9-24(10-12-25)17-5-1-2-8-21-17)7-6-15-14-29-20(22-15)23-19(27)16-4-3-13-28-16/h1-5,8,13-14H,6-7,9-12H2,(H,22,23,27).
What are the key properties of N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 427.56 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30858709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).