N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C14H21N3O2S — CID 66179467

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(C)CC(C)(O)CNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C14H21N3O2S/c1-10(2)7-14(3,19)9-15-12(18)6-11-8-17-4-5-20-13(17)16-11/h4-5,8,10,19H,6-7,9H2,1-3H3,(H,15,18)
InChIKeySRIJEWKQLLPNLX-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.85
Rot. Bonds6

About N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 66179467) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID66179467
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(C)CC(C)(O)CNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C14H21N3O2S/c1-10(2)7-14(3,19)9-15-12(18)6-11-8-17-4-5-20-13(17)16-11/h4-5,8,10,19H,6-7,9H2,1-3H3,(H,15,18)
InChIKeySRIJEWKQLLPNLX-UHFFFAOYSA-N
XLogP1.85
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 103839699
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113289464
2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid
CID 79793246
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
N-(1-hydroxy-2-methylbutan-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 64555428
N-(2-ethylhexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 134057702
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55827901
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94812709
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 121122860
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51254649

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 66179467) is N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CC(C)CC(C)(O)CNC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is SRIJEWKQLLPNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(2)7-14(3,19)9-15-12(18)6-11-8-17-4-5-20-13(17)16-11/h4-5,8,10,19H,6-7,9H2,1-3H3,(H,15,18).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 66179467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).