N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide

C13H12N2O2S3 — CID 142872044

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide
SMILESCc1cc(NS(=O)c2ccc(-c3ccc(C)s3)s2)no1
InChIInChI=1S/C13H12N2O2S3/c1-8-7-12(14-17-8)15-20(16)13-6-5-11(19-13)10-4-3-9(2)18-10/h3-7H,1-2H3,(H,14,15)
InChIKeyHZVFULMCVSBBDR-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.22
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide

N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide (PubChem CID 142872044) has the molecular formula C13H12N2O2S3 and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide
PubChem CID142872044
Molecular FormulaC13H12N2O2S3
Molecular Weight324.45 g/mol
Exact Mass324.01
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide
SMILESCc1cc(NS(=O)c2ccc(-c3ccc(C)s3)s2)no1
InChIInChI=1S/C13H12N2O2S3/c1-8-7-12(14-17-8)15-20(16)13-6-5-11(19-13)10-4-3-9(2)18-10/h3-7H,1-2H3,(H,14,15)
InChIKeyHZVFULMCVSBBDR-UHFFFAOYSA-N
XLogP4.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide
CID 142872026
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine
CID 172819404
N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide
CID 50976253
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole
CID 130460933
[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 54194493
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane
CID 139117758
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide (CID 142872044) is N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide is Cc1cc(NS(=O)c2ccc(-c3ccc(C)s3)s2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide?
The InChIKey is HZVFULMCVSBBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S3/c1-8-7-12(14-17-8)15-20(16)13-6-5-11(19-13)10-4-3-9(2)18-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide has a molecular weight of 324.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-(5-methylthiophen-2-yl)thiophene-2-sulfinamide is sourced from PubChem (CID 142872044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).