N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

C11H19N5O3S2 — CID 86607109

IUPACN-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)NN2CCN(C)CC2)s1
InChIInChI=1S/C11H19N5O3S2/c1-8-10(20-11(12-8)13-9(2)17)21(18,19)14-16-6-4-15(3)5-7-16/h14H,4-7H2,1-3H3,(H,12,13,17)
InChIKeyDHSHBMJJSOZSRP-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.15
Rot. Bonds4

About N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86607109) has the molecular formula C11H19N5O3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86607109
Molecular FormulaC11H19N5O3S2
Molecular Weight333.44 g/mol
Exact Mass333.09
IUPAC NameN-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)NN2CCN(C)CC2)s1
InChIInChI=1S/C11H19N5O3S2/c1-8-10(20-11(12-8)13-9(2)17)21(18,19)14-16-6-4-15(3)5-7-16/h14H,4-7H2,1-3H3,(H,12,13,17)
InChIKeyDHSHBMJJSOZSRP-UHFFFAOYSA-N
XLogP-0.15
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 86607109) is N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)NN2CCN(C)CC2)s1.
What is the InChIKey of N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DHSHBMJJSOZSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S2/c1-8-10(20-11(12-8)13-9(2)17)21(18,19)14-16-6-4-15(3)5-7-16/h14H,4-7H2,1-3H3,(H,12,13,17).
What are the key properties of N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86607109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).