N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide

C15H17N3O3S2 — CID 99801698

IUPACN'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESCc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCCO3)n2)s1
InChIInChI=1S/C15H17N3O3S2/c1-9-4-5-12(23-9)11-8-22-15(17-11)18-14(20)13(19)16-7-10-3-2-6-21-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyYRMQUUSFFHSQJF-JTQLQIEISA-N
MW351.45 g/mol
LogP2.41
Rot. Bonds4

About N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide

N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 99801698) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID99801698
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESCc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCCO3)n2)s1
InChIInChI=1S/C15H17N3O3S2/c1-9-4-5-12(23-9)11-8-22-15(17-11)18-14(20)13(19)16-7-10-3-2-6-21-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyYRMQUUSFFHSQJF-JTQLQIEISA-N
XLogP2.41
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291222
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41452901
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 86995334
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119679935

Frequently Asked Questions

What is the IUPAC name of N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 99801698) is N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide is Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCCO3)n2)s1.
What is the InChIKey of N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is YRMQUUSFFHSQJF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-9-4-5-12(23-9)11-8-22-15(17-11)18-14(20)13(19)16-7-10-3-2-6-21-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,19)(H,17,18,20)/t10-/m0/s1.
What are the key properties of N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 351.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 99801698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).