4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide

C13H15N3O3S2 — CID 80547490

IUPAC4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc2c1CCNC2
InChIInChI=1S/C13H15N3O3S2/c1-8-12(20-13(17)15-8)21(18,19)16-11-4-2-3-9-7-14-6-5-10(9)11/h2-4,14,16H,5-7H2,1H3,(H,15,17)
InChIKeyFVVOUCMAKNBSQC-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.19
Rot. Bonds3

About 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 80547490) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID80547490
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc2c1CCNC2
InChIInChI=1S/C13H15N3O3S2/c1-8-12(20-13(17)15-8)21(18,19)16-11-4-2-3-9-7-14-6-5-10(9)11/h2-4,14,16H,5-7H2,1H3,(H,15,17)
InChIKeyFVVOUCMAKNBSQC-UHFFFAOYSA-N
XLogP1.19
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 43808517
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
CID 21271748
1-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 82842529
N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712767
5-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959084
2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 61275975
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2H-[1,2,5]thiadiazolo[2,3-a]pyridine-4-sulfonamide
CID 67984398
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2H-[1,2,5]thiadiazolo[2,3-a]pyridine-4-sulfonamide;hydrochloride
CID 67984397
3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 80547847
2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389
N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60971346

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide (CID 80547490) is 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc2c1CCNC2.
What is the InChIKey of 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is FVVOUCMAKNBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-8-12(20-13(17)15-8)21(18,19)16-11-4-2-3-9-7-14-6-5-10(9)11/h2-4,14,16H,5-7H2,1H3,(H,15,17).
What are the key properties of 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 325.42 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 80547490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).