N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide

C22H23N3O2S — CID 44615155

IUPACN-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1s/c(=N\c2ccccc2)n(CC2CCCO2)c1-c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-16(26)23-21-20(17-9-4-2-5-10-17)25(15-19-13-8-14-27-19)22(28-21)24-18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-15H2,1H3,(H,23,26)/b24-22-
InChIKeyAVYCUZZTHWDZPC-GYHWCHFESA-N
MW393.51 g/mol
LogP4.59
Rot. Bonds5

About N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide

N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide (PubChem CID 44615155) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide
PubChem CID44615155
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1s/c(=N\c2ccccc2)n(CC2CCCO2)c1-c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-16(26)23-21-20(17-9-4-2-5-10-17)25(15-19-13-8-14-27-19)22(28-21)24-18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-15H2,1H3,(H,23,26)/b24-22-
InChIKeyAVYCUZZTHWDZPC-GYHWCHFESA-N
XLogP4.59
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide
CID 44615170
1-[4-[[4-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]amino]phenyl]ethanone
CID 2452538
N-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95135000
N,N-dimethyl-4-[3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 27350353
N,N-dimethyl-4-[3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5245119
3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one
CID 82520976
2-[(5R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7432493
2-[(5S)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 1280321
3-(oxolan-2-ylmethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 3525288
4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 23761409
N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide
CID 40783237
N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine
CID 23796102

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide (CID 44615155) is N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1s/c(=N\c2ccccc2)n(CC2CCCO2)c1-c1ccccc1.
What is the InChIKey of N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide?
The InChIKey is AVYCUZZTHWDZPC-GYHWCHFESA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-16(26)23-21-20(17-9-4-2-5-10-17)25(15-19-13-8-14-27-19)22(28-21)24-18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-15H2,1H3,(H,23,26)/b24-22-.
What are the key properties of N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide?
N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 44615155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).