N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide

C15H24N4O3S2 — CID 42560676

IUPACN-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C15H24N4O3S2/c1-12(20)17-15-16-11-14(23-15)24(21,22)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h11,13H,2-10H2,1H3,(H,16,17,20)
InChIKeyQUWDQCIJVWFKFY-UHFFFAOYSA-N
MW372.52 g/mol
LogP1.74
Rot. Bonds4

About N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 42560676) has the molecular formula C15H24N4O3S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID42560676
Molecular FormulaC15H24N4O3S2
Molecular Weight372.52 g/mol
Exact Mass372.13
IUPAC NameN-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C15H24N4O3S2/c1-12(20)17-15-16-11-14(23-15)24(21,22)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h11,13H,2-10H2,1H3,(H,16,17,20)
InChIKeyQUWDQCIJVWFKFY-UHFFFAOYSA-N
XLogP1.74
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide (CID 42560676) is N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)s1.
What is the InChIKey of N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is QUWDQCIJVWFKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S2/c1-12(20)17-15-16-11-14(23-15)24(21,22)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h11,13H,2-10H2,1H3,(H,16,17,20).
What are the key properties of N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 372.52 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 42560676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).