2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C23H25N7O3S — CID 24954816

IUPAC2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(N2CCN(c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)C2=O)c1
InChIInChI=1S/C23H25N7O3S/c1-33-17-4-2-3-16(13-17)29-11-12-30(23(29)32)22-27-19(15-34-22)21(31)26-18-14-25-6-5-20(18)28-9-7-24-8-10-28/h2-6,13-15,24H,7-12H2,1H3,(H,26,31)
InChIKeyCFMUVNLNIVGNTC-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.66
Rot. Bonds6

About 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24954816) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24954816
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC Name2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(N2CCN(c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)C2=O)c1
InChIInChI=1S/C23H25N7O3S/c1-33-17-4-2-3-16(13-17)29-11-12-30(23(29)32)22-27-19(15-34-22)21(31)26-18-14-25-6-5-20(18)28-9-7-24-8-10-28/h2-6,13-15,24H,7-12H2,1H3,(H,26,31)
InChIKeyCFMUVNLNIVGNTC-UHFFFAOYSA-N
XLogP2.66
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-Methoxy-1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)-N-[4-(Piperazin-1-Yl)pyridin-3-Yl]-1,3-Thiazole-4-Carboxamide
CID 24951610
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332270
13-[4-(4-Acetylpiperazin-1-yl)-2-methoxyanilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155287286
13-[4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-2-methoxyanilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155721812
13-[2-Methoxy-4-(4-methyl-2-oxopiperazin-1-yl)anilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155721825
13-(2-Methoxy-4-piperazin-1-ylanilino)-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155721845
13-[2-Methoxy-4-(4-methylpiperazin-1-yl)anilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 162515948
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 51002931
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-4-ium-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78225445
N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
CID 1468225
2-(3-Methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232884
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 163368466

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24954816) is 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1cccc(N2CCN(c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)C2=O)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CFMUVNLNIVGNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-33-17-4-2-3-16(13-17)29-11-12-30(23(29)32)22-27-19(15-34-22)21(31)26-18-14-25-6-5-20(18)28-9-7-24-8-10-28/h2-6,13-15,24H,7-12H2,1H3,(H,26,31).
What are the key properties of 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 479.57 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24954816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).