4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide

C9H14N4O3S2 — CID 61130893

IUPAC4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide
SMILESCc1ncsc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H14N4O3S2/c1-7-8(17-6-11-7)9(14)12-2-4-13(5-3-12)18(10,15)16/h6H,2-5H2,1H3,(H2,10,15,16)
InChIKeyLVDNQHZPHLGDOG-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.59
Rot. Bonds2

About 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide

4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide (PubChem CID 61130893) has the molecular formula C9H14N4O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide
PubChem CID61130893
Molecular FormulaC9H14N4O3S2
Molecular Weight290.37 g/mol
Exact Mass290.05
IUPAC Name4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide
SMILESCc1ncsc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H14N4O3S2/c1-7-8(17-6-11-7)9(14)12-2-4-13(5-3-12)18(10,15)16/h6H,2-5H2,1H3,(H2,10,15,16)
InChIKeyLVDNQHZPHLGDOG-UHFFFAOYSA-N
XLogP-0.59
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 55704390
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47281792
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(6S)-1-methyl-4-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124956759
4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61140085
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103727188
(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103575811
(4-methyl-1,3-thiazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 55167631
(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335319
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56819367
1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119136798

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide (CID 61130893) is 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide is Cc1ncsc1C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide?
The InChIKey is LVDNQHZPHLGDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S2/c1-7-8(17-6-11-7)9(14)12-2-4-13(5-3-12)18(10,15)16/h6H,2-5H2,1H3,(H2,10,15,16).
What are the key properties of 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide?
4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide has a molecular weight of 290.37 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61130893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).