N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C15H17N5O2S2 — CID 55827901

IUPACN-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCc2cn3ccsc3n2)cs1
InChIInChI=1S/C15H17N5O2S2/c1-9(2)13(22)19-14-17-10(8-24-14)5-12(21)16-6-11-7-20-3-4-23-15(20)18-11/h3-4,7-9H,5-6H2,1-2H3,(H,16,21)(H,17,19,22)
InChIKeyAFAORXQZLZRSLS-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.31
Rot. Bonds6

About N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 55827901) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID55827901
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC NameN-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCc2cn3ccsc3n2)cs1
InChIInChI=1S/C15H17N5O2S2/c1-9(2)13(22)19-14-17-10(8-24-14)5-12(21)16-6-11-7-20-3-4-23-15(20)18-11/h3-4,7-9H,5-6H2,1-2H3,(H,16,21)(H,17,19,22)
InChIKeyAFAORXQZLZRSLS-UHFFFAOYSA-N
XLogP2.31
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 121122860
N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 66179467
N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
CID 55781902
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119606563
2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 52516283
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-nitrophenyl)acetamide
CID 134027757

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 55827901) is N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CC(=O)NCc2cn3ccsc3n2)cs1.
What is the InChIKey of N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is AFAORXQZLZRSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-9(2)13(22)19-14-17-10(8-24-14)5-12(21)16-6-11-7-20-3-4-23-15(20)18-11/h3-4,7-9H,5-6H2,1-2H3,(H,16,21)(H,17,19,22).
What are the key properties of N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 363.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55827901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).