N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide

C24H29ClN4O2S — CID 134138881

IUPACN-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC(CN2CCN(c3nsc4cc(Cl)ccc34)CC2)CC1)c1ccco1
InChIInChI=1S/C24H29ClN4O2S/c25-19-7-8-20-22(14-19)32-27-23(20)29-11-9-28(10-12-29)16-18-5-3-17(4-6-18)15-26-24(30)21-2-1-13-31-21/h1-2,7-8,13-14,17-18H,3-6,9-12,15-16H2,(H,26,30)
InChIKeyOUJINBWEZGZUKQ-UHFFFAOYSA-N
MW473.04 g/mol
LogP4.90
Rot. Bonds6

About N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide

N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide (PubChem CID 134138881) has the molecular formula C24H29ClN4O2S and a molecular weight of 473.04 g/mol. Its IUPAC name is N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide
PubChem CID134138881
Molecular FormulaC24H29ClN4O2S
Molecular Weight473.04 g/mol
Exact Mass472.17
IUPAC NameN-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC(CN2CCN(c3nsc4cc(Cl)ccc34)CC2)CC1)c1ccco1
InChIInChI=1S/C24H29ClN4O2S/c25-19-7-8-20-22(14-19)32-27-23(20)29-11-9-28(10-12-29)16-18-5-3-17(4-6-18)15-26-24(30)21-2-1-13-31-21/h1-2,7-8,13-14,17-18H,3-6,9-12,15-16H2,(H,26,30)
InChIKeyOUJINBWEZGZUKQ-UHFFFAOYSA-N
XLogP4.90
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.04
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide (CID 134138881) is N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide is O=C(NCC1CCC(CN2CCN(c3nsc4cc(Cl)ccc34)CC2)CC1)c1ccco1.
What is the InChIKey of N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide?
The InChIKey is OUJINBWEZGZUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2S/c25-19-7-8-20-22(14-19)32-27-23(20)29-11-9-28(10-12-29)16-18-5-3-17(4-6-18)15-26-24(30)21-2-1-13-31-21/h1-2,7-8,13-14,17-18H,3-6,9-12,15-16H2,(H,26,30).
What are the key properties of N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide?
N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide has a molecular weight of 473.04 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 134138881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).