2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide

C15H14N2O3S — CID 45224514

IUPAC2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCOC1=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c18-14(17-11-6-7-20-15(11)19)12-9-21-13(16-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18)
InChIKeyLUVOHODHSNVYLG-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.78
Rot. Bonds4

About 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide

2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 45224514) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID45224514
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCOC1=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c18-14(17-11-6-7-20-15(11)19)12-9-21-13(16-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18)
InChIKeyLUVOHODHSNVYLG-UHFFFAOYSA-N
XLogP1.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 122521777
methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 130343008
[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl] acetate
CID 134136628
Ulongamide A
CID 10985040
(4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-4-(1-methylethyl)-18-((1S)-1-methylpropyl)-25-(phenylmethyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone
CID 9767970
Patellamide B
CID 9767971
Aerucyclamide D
CID 25156432
methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 134132567
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[(2R,4R)-1,4-dimethylpyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 134140654
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 134149622
[(1R,3R)-1-[4-[[(2R,4S)-5-amino-4-methyl-5-oxo-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl] acetate
CID 134151665
[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-[4-[[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate
CID 134154027

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide (CID 45224514) is 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCOC1=O)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LUVOHODHSNVYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-14(17-11-6-7-20-15(11)19)12-9-21-13(16-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18).
What are the key properties of 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45224514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).