N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide

C17H21N5O4S2 — CID 150361392

IUPACN-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
SMILESCCN1CCN(C(=O)c2csc(NC(=O)c3ccc(S(N)(=O)=O)cc3)n2)CC1
InChIInChI=1S/C17H21N5O4S2/c1-2-21-7-9-22(10-8-21)16(24)14-11-27-17(19-14)20-15(23)12-3-5-13(6-4-12)28(18,25)26/h3-6,11H,2,7-10H2,1H3,(H2,18,25,26)(H,19,20,23)
InChIKeyGVUAXBIILAVRNB-UHFFFAOYSA-N
MW423.52 g/mol
LogP0.82
Rot. Bonds5

About N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide

N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide (PubChem CID 150361392) has the molecular formula C17H21N5O4S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
PubChem CID150361392
Molecular FormulaC17H21N5O4S2
Molecular Weight423.52 g/mol
Exact Mass423.10
IUPAC NameN-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
SMILESCCN1CCN(C(=O)c2csc(NC(=O)c3ccc(S(N)(=O)=O)cc3)n2)CC1
InChIInChI=1S/C17H21N5O4S2/c1-2-21-7-9-22(10-8-21)16(24)14-11-27-17(19-14)20-15(23)12-3-5-13(6-4-12)28(18,25)26/h3-6,11H,2,7-10H2,1H3,(H2,18,25,26)(H,19,20,23)
InChIKeyGVUAXBIILAVRNB-UHFFFAOYSA-N
XLogP0.82
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide?
The IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide (CID 150361392) is N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide is CCN1CCN(C(=O)c2csc(NC(=O)c3ccc(S(N)(=O)=O)cc3)n2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide?
The InChIKey is GVUAXBIILAVRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S2/c1-2-21-7-9-22(10-8-21)16(24)14-11-27-17(19-14)20-15(23)12-3-5-13(6-4-12)28(18,25)26/h3-6,11H,2,7-10H2,1H3,(H2,18,25,26)(H,19,20,23).
What are the key properties of N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide?
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide has a molecular weight of 423.52 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide is sourced from PubChem (CID 150361392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).