N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide

C16H24N4O4S2 — CID 45497603

IUPACN-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)Cc2csc(NC(=O)C3CCCC3)n2)CC1
InChIInChI=1S/C16H24N4O4S2/c1-26(23,24)20-8-6-19(7-9-20)14(21)10-13-11-25-16(17-13)18-15(22)12-4-2-3-5-12/h11-12H,2-10H2,1H3,(H,17,18,22)
InChIKeyLAQBNWRTAMYYGJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP0.92
Rot. Bonds5

About N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide

N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 45497603) has the molecular formula C16H24N4O4S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID45497603
Molecular FormulaC16H24N4O4S2
Molecular Weight400.53 g/mol
Exact Mass400.12
IUPAC NameN-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)Cc2csc(NC(=O)C3CCCC3)n2)CC1
InChIInChI=1S/C16H24N4O4S2/c1-26(23,24)20-8-6-19(7-9-20)14(21)10-13-11-25-16(17-13)18-15(22)12-4-2-3-5-12/h11-12H,2-10H2,1H3,(H,17,18,22)
InChIKeyLAQBNWRTAMYYGJ-UHFFFAOYSA-N
XLogP0.92
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 45497603) is N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide is CS(=O)(=O)N1CCN(C(=O)Cc2csc(NC(=O)C3CCCC3)n2)CC1.
What is the InChIKey of N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is LAQBNWRTAMYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S2/c1-26(23,24)20-8-6-19(7-9-20)14(21)10-13-11-25-16(17-13)18-15(22)12-4-2-3-5-12/h11-12H,2-10H2,1H3,(H,17,18,22).
What are the key properties of N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 400.53 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 45497603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).