N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide

C15H20N4O3S2 — CID 167766057

IUPACN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide
SMILESCOc1ccc(-c2csc(CNS(=O)(=O)N3CCNCC3)n2)cc1
InChIInChI=1S/C15H20N4O3S2/c1-22-13-4-2-12(3-5-13)14-11-23-15(18-14)10-17-24(20,21)19-8-6-16-7-9-19/h2-5,11,16-17H,6-10H2,1H3
InChIKeyNESGRBKJHWSHEP-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.06
Rot. Bonds6

About N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide

N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide (PubChem CID 167766057) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide
PubChem CID167766057
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide
SMILESCOc1ccc(-c2csc(CNS(=O)(=O)N3CCNCC3)n2)cc1
InChIInChI=1S/C15H20N4O3S2/c1-22-13-4-2-12(3-5-13)14-11-23-15(18-14)10-17-24(20,21)19-8-6-16-7-9-19/h2-5,11,16-17H,6-10H2,1H3
InChIKeyNESGRBKJHWSHEP-UHFFFAOYSA-N
XLogP1.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463638
N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 110393835
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
CID 71691448
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-sulfonamide
CID 47240186
2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463697
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463674
1-(4-methoxyphenyl)-2-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]ethanone
CID 158335726
2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463699

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide (CID 167766057) is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide is COc1ccc(-c2csc(CNS(=O)(=O)N3CCNCC3)n2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide?
The InChIKey is NESGRBKJHWSHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-22-13-4-2-12(3-5-13)14-11-23-15(18-14)10-17-24(20,21)19-8-6-16-7-9-19/h2-5,11,16-17H,6-10H2,1H3.
What are the key properties of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide?
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide has a molecular weight of 368.48 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 167766057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).