2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide

C21H26N2O2S — CID 96571936

IUPAC2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(Cc2ccccc2)n1)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C21H26N2O2S/c24-21(19-15-26-20(22-19)12-16-6-2-1-3-7-16)23(13-17-8-4-9-17)14-18-10-5-11-25-18/h1-3,6-7,15,17-18H,4-5,8-14H2/t18-/m1/s1
InChIKeyGOOULWBZWUPUFM-GOSISDBHSA-N
MW370.52 g/mol
LogP4.16
Rot. Bonds7

About 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 96571936) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID96571936
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(Cc2ccccc2)n1)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C21H26N2O2S/c24-21(19-15-26-20(22-19)12-16-6-2-1-3-7-16)23(13-17-8-4-9-17)14-18-10-5-11-25-18/h1-3,6-7,15,17-18H,4-5,8-14H2/t18-/m1/s1
InChIKeyGOOULWBZWUPUFM-GOSISDBHSA-N
XLogP4.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45190486
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190
2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119195383
2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 70748676
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 94643513
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 51923609
3-[[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154391
N-(cyclobutylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125168586
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119805648

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 96571936) is 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(c1csc(Cc2ccccc2)n1)N(CC1CCC1)C[C@H]1CCCO1.
What is the InChIKey of 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GOOULWBZWUPUFM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-21(19-15-26-20(22-19)12-16-6-2-1-3-7-16)23(13-17-8-4-9-17)14-18-10-5-11-25-18/h1-3,6-7,15,17-18H,4-5,8-14H2/t18-/m1/s1.
What are the key properties of 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 96571936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).