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

C21H29N5O3S2 — CID 55599294

IUPACN-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H29N5O3S2/c1-24(19-7-3-2-4-8-19)31(28,29)26-12-10-25(11-13-26)20(27)14-18-16-30-21(23-18)17-6-5-9-22-15-17/h5-6,9,15-16,19H,2-4,7-8,10-14H2,1H3
InChIKeySTIPVEPRDQFABG-UHFFFAOYSA-N
MW463.63 g/mol
LogP2.40
Rot. Bonds6

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

N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide (PubChem CID 55599294) has the molecular formula C21H29N5O3S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide
PubChem CID55599294
Molecular FormulaC21H29N5O3S2
Molecular Weight463.63 g/mol
Exact Mass463.17
IUPAC NameN-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H29N5O3S2/c1-24(19-7-3-2-4-8-19)31(28,29)26-12-10-25(11-13-26)20(27)14-18-16-30-21(23-18)17-6-5-9-22-15-17/h5-6,9,15-16,19H,2-4,7-8,10-14H2,1H3
InChIKeySTIPVEPRDQFABG-UHFFFAOYSA-N
XLogP2.40
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 55386751
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55563635
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55386843
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134059948
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119423521
1-[4-(2-methylpropyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134061266
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39080939
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39080979
1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55388359
1-(4-benzhydrylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39080984
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134021958

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide (CID 55599294) is N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide?
The InChIKey is STIPVEPRDQFABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S2/c1-24(19-7-3-2-4-8-19)31(28,29)26-12-10-25(11-13-26)20(27)14-18-16-30-21(23-18)17-6-5-9-22-15-17/h5-6,9,15-16,19H,2-4,7-8,10-14H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide has a molecular weight of 463.63 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55599294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).