N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide

C24H30N4O2S — CID 134154943

IUPACN-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC(CN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccco1
InChIInChI=1S/C24H30N4O2S/c29-24(21-5-3-15-30-21)25-16-18-7-9-19(10-8-18)17-27-11-13-28(14-12-27)23-20-4-1-2-6-22(20)31-26-23/h1-6,15,18-19H,7-14,16-17H2,(H,25,29)
InChIKeyUXEHMYRJTUKZNV-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.25
Rot. Bonds6

About N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide

N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide (PubChem CID 134154943) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide
PubChem CID134154943
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC NameN-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC(CN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccco1
InChIInChI=1S/C24H30N4O2S/c29-24(21-5-3-15-30-21)25-16-18-7-9-19(10-8-18)17-27-11-13-28(14-12-27)23-20-4-1-2-6-22(20)31-26-23/h1-6,15,18-19H,7-14,16-17H2,(H,25,29)
InChIKeyUXEHMYRJTUKZNV-UHFFFAOYSA-N
XLogP4.25
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide (CID 134154943) is N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide is O=C(NCC1CCC(CN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccco1.
What is the InChIKey of N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide?
The InChIKey is UXEHMYRJTUKZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c29-24(21-5-3-15-30-21)25-16-18-7-9-19(10-8-18)17-27-11-13-28(14-12-27)23-20-4-1-2-6-22(20)31-26-23/h1-6,15,18-19H,7-14,16-17H2,(H,25,29).
What are the key properties of N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide?
N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 134154943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).