1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol

C21H23N5OS — CID 172722379

IUPAC1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc3ccc(Cc4nc5ncccc5[nH]4)cc3s2)CCCCC1
InChIInChI=1S/C21H23N5OS/c27-21(8-2-1-3-9-21)13-23-20-25-15-7-6-14(11-17(15)28-20)12-18-24-16-5-4-10-22-19(16)26-18/h4-7,10-11,27H,1-3,8-9,12-13H2,(H,23,25)(H,22,24,26)
InChIKeyGRPJVNYQEGLRMW-UHFFFAOYSA-N
MW393.52 g/mol
LogP4.27
Rot. Bonds5

About 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol

1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 172722379) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID172722379
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc3ccc(Cc4nc5ncccc5[nH]4)cc3s2)CCCCC1
InChIInChI=1S/C21H23N5OS/c27-21(8-2-1-3-9-21)13-23-20-25-15-7-6-14(11-17(15)28-20)12-18-24-16-5-4-10-22-19(16)26-18/h4-7,10-11,27H,1-3,8-9,12-13H2,(H,23,25)(H,22,24,26)
InChIKeyGRPJVNYQEGLRMW-UHFFFAOYSA-N
XLogP4.27
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexylidene]hydroxylamine
CID 172846110
2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 172834786
1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine
CID 64671633
2-[[6-[(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 172814895
6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 162380533
1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol
CID 78955223
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110912916
6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
CID 82548714
N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine
CID 126761058
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902621
6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 79519042

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol (CID 172722379) is 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol is OC1(CNc2nc3ccc(Cc4nc5ncccc5[nH]4)cc3s2)CCCCC1.
What is the InChIKey of 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is GRPJVNYQEGLRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c27-21(8-2-1-3-9-21)13-23-20-25-15-7-6-14(11-17(15)28-20)12-18-24-16-5-4-10-22-19(16)26-18/h4-7,10-11,27H,1-3,8-9,12-13H2,(H,23,25)(H,22,24,26).
What are the key properties of 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol?
1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 393.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 172722379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).