[2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol

C14H21N3OS — CID 115331705

IUPAC[2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCc1cn2ccsc2n1
InChIInChI=1S/C14H21N3OS/c18-10-12-4-2-1-3-11(12)7-15-8-13-9-17-5-6-19-14(17)16-13/h5-6,9,11-12,15,18H,1-4,7-8,10H2
InChIKeyRBVKEVPHAXSZTE-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.28
Rot. Bonds5

About [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol

[2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol (PubChem CID 115331705) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
PubChem CID115331705
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name[2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCc1cn2ccsc2n1
InChIInChI=1S/C14H21N3OS/c18-10-12-4-2-1-3-11(12)7-15-8-13-9-17-5-6-19-14(17)16-13/h5-6,9,11-12,15,18H,1-4,7-8,10H2
InChIKeyRBVKEVPHAXSZTE-UHFFFAOYSA-N
XLogP2.28
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 115335393
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 115335410
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 115331593
[1-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
CID 103966368
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332915
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopentyl]methanol
CID 115331615
1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116580040
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol
CID 106160046
N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
CID 115331723
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414

Frequently Asked Questions

What is the IUPAC name of [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol (CID 115331705) is [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol is OCC1CCCCC1CNCc1cn2ccsc2n1.
What is the InChIKey of [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol?
The InChIKey is RBVKEVPHAXSZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c18-10-12-4-2-1-3-11(12)7-15-8-13-9-17-5-6-19-14(17)16-13/h5-6,9,11-12,15,18H,1-4,7-8,10H2.
What are the key properties of [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol?
[2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol has a molecular weight of 279.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 115331705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).