N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide

C15H21N3O2S — CID 136566848

IUPACN-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide
SMILESCC1(C)CCC(CCNC(=O)c2csc3cncn23)OC1
InChIInChI=1S/C15H21N3O2S/c1-15(2)5-3-11(20-9-15)4-6-17-14(19)12-8-21-13-7-16-10-18(12)13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyAPFMKWOPIHERJL-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide

N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide (PubChem CID 136566848) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide
PubChem CID136566848
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide
SMILESCC1(C)CCC(CCNC(=O)c2csc3cncn23)OC1
InChIInChI=1S/C15H21N3O2S/c1-15(2)5-3-11(20-9-15)4-6-17-14(19)12-8-21-13-7-16-10-18(12)13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyAPFMKWOPIHERJL-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate
CID 130741870
N-[2-(5,5-dimethyloxan-2-yl)ethyl]-2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide
CID 136566840
1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 154847399
N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 136565765
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
CID 166874447
6-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 62176089
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
4-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 81240671
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide (CID 136566848) is N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide is CC1(C)CCC(CCNC(=O)c2csc3cncn23)OC1.
What is the InChIKey of N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is APFMKWOPIHERJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2)5-3-11(20-9-15)4-6-17-14(19)12-8-21-13-7-16-10-18(12)13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide?
N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 136566848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).