N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide

C20H32N4O3S2 — CID 67393352

IUPACN-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NC2CCC(C(=O)N3CCN(C4CCC4)CC3)CC2)s1
InChIInChI=1S/C20H32N4O3S2/c1-14-20(28-15(2)21-14)29(26,27)22-17-8-6-16(7-9-17)19(25)24-12-10-23(11-13-24)18-4-3-5-18/h16-18,22H,3-13H2,1-2H3
InChIKeyQLFUAQRSLCZTTO-UHFFFAOYSA-N
MW440.64 g/mol
LogP2.29
Rot. Bonds5

About N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide

N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 67393352) has the molecular formula C20H32N4O3S2 and a molecular weight of 440.64 g/mol. Its IUPAC name is N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID67393352
Molecular FormulaC20H32N4O3S2
Molecular Weight440.64 g/mol
Exact Mass440.19
IUPAC NameN-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NC2CCC(C(=O)N3CCN(C4CCC4)CC3)CC2)s1
InChIInChI=1S/C20H32N4O3S2/c1-14-20(28-15(2)21-14)29(26,27)22-17-8-6-16(7-9-17)19(25)24-12-10-23(11-13-24)18-4-3-5-18/h16-18,22H,3-13H2,1-2H3
InChIKeyQLFUAQRSLCZTTO-UHFFFAOYSA-N
XLogP2.29
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.64
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 67393352) is N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NC2CCC(C(=O)N3CCN(C4CCC4)CC3)CC2)s1.
What is the InChIKey of N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is QLFUAQRSLCZTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S2/c1-14-20(28-15(2)21-14)29(26,27)22-17-8-6-16(7-9-17)19(25)24-12-10-23(11-13-24)18-4-3-5-18/h16-18,22H,3-13H2,1-2H3.
What are the key properties of N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 440.64 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 67393352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).