4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C19H23N5O3S — CID 73213106

IUPAC4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(C3CCCCO3)C2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H23N5O3S/c1-13-16(17(25)21-12-14-5-4-7-20-11-14)28-18(22-13)24-9-8-23(19(24)26)15-6-2-3-10-27-15/h4-5,7,11,15H,2-3,6,8-10,12H2,1H3,(H,21,25)
InChIKeyQNOOBSWFRICUMO-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.55
Rot. Bonds5

About 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 73213106) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID73213106
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(C3CCCCO3)C2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H23N5O3S/c1-13-16(17(25)21-12-14-5-4-7-20-11-14)28-18(22-13)24-9-8-23(19(24)26)15-6-2-3-10-27-15/h4-5,7,11,15H,2-3,6,8-10,12H2,1H3,(H,21,25)
InChIKeyQNOOBSWFRICUMO-UHFFFAOYSA-N
XLogP2.55
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 134137835
CID 134137835
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25094877
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
2-(1-(cyclopropylmethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095675
4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095930
4-Methyl-2-phenyl-thiazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 36145850
2-[1-[1-(4-fluorophenyl)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 44192371
2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 54742332
2-(4-Hydroxy-2-oxopyridin-1(2H)-yl)-4-methyl-N-(pyridin-4-ylmethyl)thiazole-5-carboxamide
CID 54742337
4-methyl-2-[5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 57919836
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 57919896

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 73213106) is 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(C3CCCCO3)C2=O)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QNOOBSWFRICUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-13-16(17(25)21-12-14-5-4-7-20-11-14)28-18(22-13)24-9-8-23(19(24)26)15-6-2-3-10-27-15/h4-5,7,11,15H,2-3,6,8-10,12H2,1H3,(H,21,25).
What are the key properties of 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(oxan-2-yl)-2-oxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 73213106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).