3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

C25H27N3O3S — CID 51067316

IUPAC3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cccc(C(=O)/N=c2\sc(C)cn2Cc2ccc(C(=O)NCC3CCCO3)cc2)c1
InChIInChI=1S/C25H27N3O3S/c1-17-5-3-6-21(13-17)24(30)27-25-28(15-18(2)32-25)16-19-8-10-20(11-9-19)23(29)26-14-22-7-4-12-31-22/h3,5-6,8-11,13,15,22H,4,7,12,14,16H2,1-2H3,(H,26,29)/b27-25-
InChIKeyFFJKSCKBTVVVGZ-RFBIWTDZSA-N
MW449.58 g/mol
LogP3.86
Rot. Bonds6

About 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 51067316) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID51067316
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cccc(C(=O)/N=c2\sc(C)cn2Cc2ccc(C(=O)NCC3CCCO3)cc2)c1
InChIInChI=1S/C25H27N3O3S/c1-17-5-3-6-21(13-17)24(30)27-25-28(15-18(2)32-25)16-19-8-10-20(11-9-19)23(29)26-14-22-7-4-12-31-22/h3,5-6,8-11,13,15,22H,4,7,12,14,16H2,1-2H3,(H,26,29)/b27-25-
InChIKeyFFJKSCKBTVVVGZ-RFBIWTDZSA-N
XLogP3.86
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[5-methyl-3-[[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 93305882
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide
CID 51067395
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053113
1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086752
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2-[(3-methylbenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1033254
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44763707

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (CID 51067316) is 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is Cc1cccc(C(=O)/N=c2\sc(C)cn2Cc2ccc(C(=O)NCC3CCCO3)cc2)c1.
What is the InChIKey of 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is FFJKSCKBTVVVGZ-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-17-5-3-6-21(13-17)24(30)27-25-28(15-18(2)32-25)16-19-8-10-20(11-9-19)23(29)26-14-22-7-4-12-31-22/h3,5-6,8-11,13,15,22H,4,7,12,14,16H2,1-2H3,(H,26,29)/b27-25-.
What are the key properties of 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 449.58 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 51067316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).