N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine

C24H24N6S — CID 123583455

IUPACN-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESc1cnn(-c2ccn3c(Cc4ccc5nc(NC6CCCCC6)sc5c4)cnc3c2)c1
InChIInChI=1S/C24H24N6S/c1-2-5-18(6-3-1)27-24-28-21-8-7-17(14-22(21)31-24)13-20-16-25-23-15-19(9-12-29(20)23)30-11-4-10-26-30/h4,7-12,14-16,18H,1-3,5-6,13H2,(H,27,28)
InChIKeyIKXHDRDRFQKIMI-UHFFFAOYSA-N
MW428.57 g/mol
LogP5.47
Rot. Bonds5

About N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 123583455) has the molecular formula C24H24N6S and a molecular weight of 428.57 g/mol. Its IUPAC name is N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID123583455
Molecular FormulaC24H24N6S
Molecular Weight428.57 g/mol
Exact Mass428.18
IUPAC NameN-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESc1cnn(-c2ccn3c(Cc4ccc5nc(NC6CCCCC6)sc5c4)cnc3c2)c1
InChIInChI=1S/C24H24N6S/c1-2-5-18(6-3-1)27-24-28-21-8-7-17(14-22(21)31-24)13-20-16-25-23-15-19(9-12-29(20)23)30-11-4-10-26-30/h4,7-12,14-16,18H,1-3,5-6,13H2,(H,27,28)
InChIKeyIKXHDRDRFQKIMI-UHFFFAOYSA-N
XLogP5.47
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine
CID 126761056
trans-(1R,2R)-2-[[6-[(7-imidazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498268
N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 123235378
2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 78108240
N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine
CID 126761058
2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
CID 89498648
trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 86681153
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
trans-(1R,2R)-2-[[6-[[6-(hydroxymethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498852
3-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 126761236
6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 126761285
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine (CID 123583455) is N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine is c1cnn(-c2ccn3c(Cc4ccc5nc(NC6CCCCC6)sc5c4)cnc3c2)c1.
What is the InChIKey of N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is IKXHDRDRFQKIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6S/c1-2-5-18(6-3-1)27-24-28-21-8-7-17(14-22(21)31-24)13-20-16-25-23-15-19(9-12-29(20)23)30-11-4-10-26-30/h4,7-12,14-16,18H,1-3,5-6,13H2,(H,27,28).
What are the key properties of N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 428.57 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 123583455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).