2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

C17H19N3OS — CID 154721645

IUPAC2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESOc1ccccc1-c1nc2sccn2c1NC1CCCCC1
InChIInChI=1S/C17H19N3OS/c21-14-9-5-4-8-13(14)15-16(18-12-6-2-1-3-7-12)20-10-11-22-17(20)19-15/h4-5,8-12,18,21H,1-3,6-7H2
InChIKeyUSQVVRDDRCAQQJ-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.51
Rot. Bonds3

About 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 154721645) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID154721645
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESOc1ccccc1-c1nc2sccn2c1NC1CCCCC1
InChIInChI=1S/C17H19N3OS/c21-14-9-5-4-8-13(14)15-16(18-12-6-2-1-3-7-12)20-10-11-22-17(20)19-15/h4-5,8-12,18,21H,1-3,6-7H2
InChIKeyUSQVVRDDRCAQQJ-UHFFFAOYSA-N
XLogP4.51
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[2-[2-(5-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631875
N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607201
4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 138607223
3-[5-[2-[2-(1,1-Dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631831
3-[5-[2-[2-(4,4-Dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631879
3-[5-[2-[2-(5-Benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631891
3-[5-[2-[2-(1,1-Dioxo-1,2,6-thiadiazinan-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138632019
3-[5-[2-[2-(6-Methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138632025
2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol
CID 10775929
2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol
CID 14742530
5-Bromo-2-(5-(o-tolylamino)imidazo[2,1-b]thiazol-6-yl)phenol
CID 15988946
3-{5-[(2-Ethyl-6-methylphenyl)amino]imidazo[2,1-b][1,3]thiazol-6-yl}phenol
CID 15988973

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 154721645) is 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is Oc1ccccc1-c1nc2sccn2c1NC1CCCCC1.
What is the InChIKey of 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is USQVVRDDRCAQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-14-9-5-4-8-13(14)15-16(18-12-6-2-1-3-7-12)20-10-11-22-17(20)19-15/h4-5,8-12,18,21H,1-3,6-7H2.
What are the key properties of 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol has a molecular weight of 313.43 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 154721645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).