4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide

C10H18N4O3S2 — CID 43605139

IUPAC4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C10H18N4O3S2/c1-8-9(18-10(15)13-8)19(16,17)12-4-7-14-5-2-11-3-6-14/h11-12H,2-7H2,1H3,(H,13,15)
InChIKeyPHCFWJFUWNVELM-UHFFFAOYSA-N
MW306.41 g/mol
LogP-1.07
Rot. Bonds5

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

4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43605139) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID43605139
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC Name4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C10H18N4O3S2/c1-8-9(18-10(15)13-8)19(16,17)12-4-7-14-5-2-11-3-6-14/h11-12H,2-7H2,1H3,(H,13,15)
InChIKeyPHCFWJFUWNVELM-UHFFFAOYSA-N
XLogP-1.07
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide (CID 43605139) is 4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCN1CCNCC1.
What is the InChIKey of 4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is PHCFWJFUWNVELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-8-9(18-10(15)13-8)19(16,17)12-4-7-14-5-2-11-3-6-14/h11-12H,2-7H2,1H3,(H,13,15).
What are the key properties of 4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 306.41 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43605139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).