N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C14H19N3O2S — CID 163316234

IUPACN-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N[C@@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C14H19N3O2S/c18-9-10-2-1-3-11(6-10)15-13(19)7-12-8-17-4-5-20-14(17)16-12/h4-5,8,10-11,18H,1-3,6-7,9H2,(H,15,19)/t10-,11-/m1/s1
InChIKeyMPRTWLJQKMQAPA-GHMZBOCLSA-N
MW293.39 g/mol
LogP1.61
Rot. Bonds4

About N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 163316234) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID163316234
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N[C@@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C14H19N3O2S/c18-9-10-2-1-3-11(6-10)15-13(19)7-12-8-17-4-5-20-14(17)16-12/h4-5,8,10-11,18H,1-3,6-7,9H2,(H,15,19)/t10-,11-/m1/s1
InChIKeyMPRTWLJQKMQAPA-GHMZBOCLSA-N
XLogP1.61
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cycloheptylpiperidin-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45244043
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163334581
(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide
CID 97221750
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45209828
6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334773
N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
CID 115331723
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 126773652
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824444
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 136930418

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 163316234) is N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)N[C@@H]1CCC[C@@H](CO)C1.
What is the InChIKey of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is MPRTWLJQKMQAPA-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-9-10-2-1-3-11(6-10)15-13(19)7-12-8-17-4-5-20-14(17)16-12/h4-5,8,10-11,18H,1-3,6-7,9H2,(H,15,19)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 293.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 163316234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).