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

C15H19ClN4O2S2 — CID 168582949

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCN1CCN(S(=O)(=O)c2cccc(NCc3cnc(Cl)s3)c2)CC1
InChIInChI=1S/C15H19ClN4O2S2/c1-19-5-7-20(8-6-19)24(21,22)14-4-2-3-12(9-14)17-10-13-11-18-15(16)23-13/h2-4,9,11,17H,5-8,10H2,1H3
InChIKeyMAPFMGAOTZLNQH-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.34
Rot. Bonds5

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline (PubChem CID 168582949) has the molecular formula C15H19ClN4O2S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline
PubChem CID168582949
Molecular FormulaC15H19ClN4O2S2
Molecular Weight386.93 g/mol
Exact Mass386.06
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCN1CCN(S(=O)(=O)c2cccc(NCc3cnc(Cl)s3)c2)CC1
InChIInChI=1S/C15H19ClN4O2S2/c1-19-5-7-20(8-6-19)24(21,22)14-4-2-3-12(9-14)17-10-13-11-18-15(16)23-13/h2-4,9,11,17H,5-8,10H2,1H3
InChIKeyMAPFMGAOTZLNQH-UHFFFAOYSA-N
XLogP2.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-chloro-3-[3-(4-methylpiperazin-1-yl)sulfonylanilino]propan-2-ol
CID 168638629
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 119864454
7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one
CID 168582587
6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 60581974
1-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanol
CID 168583170
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
ethyl 4-[2-chloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperazine-1-carboxylate
CID 168583525
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
3-(azepan-1-ylsulfonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 31984010
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-piperidin-1-ylsulfonylaniline
CID 112796538
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-pyrrolidin-1-ylsulfonylaniline
CID 30776424

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline (CID 168582949) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline is CN1CCN(S(=O)(=O)c2cccc(NCc3cnc(Cl)s3)c2)CC1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline?
The InChIKey is MAPFMGAOTZLNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S2/c1-19-5-7-20(8-6-19)24(21,22)14-4-2-3-12(9-14)17-10-13-11-18-15(16)23-13/h2-4,9,11,17H,5-8,10H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline has a molecular weight of 386.93 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline is sourced from PubChem (CID 168582949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).