N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide

C11H14N4OS — CID 110697996

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide
SMILESCc1nc(NC(=O)CCc2cnc[nH]2)sc1C
InChIInChI=1S/C11H14N4OS/c1-7-8(2)17-11(14-7)15-10(16)4-3-9-5-12-6-13-9/h5-6H,3-4H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyNMFZJLGZWDXTFL-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.05
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide (PubChem CID 110697996) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide
PubChem CID110697996
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide
SMILESCc1nc(NC(=O)CCc2cnc[nH]2)sc1C
InChIInChI=1S/C11H14N4OS/c1-7-8(2)17-11(14-7)15-10(16)4-3-9-5-12-6-13-9/h5-6H,3-4H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyNMFZJLGZWDXTFL-UHFFFAOYSA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35536420
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
CID 79193438
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide
CID 110688639
ethyl 4-[3-(1H-imidazol-5-yl)propanoylamino]benzoate
CID 110697987
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide
CID 110698008
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198249
2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 110680192
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 108787881
3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
CID 67121943

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide (CID 110697996) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide is Cc1nc(NC(=O)CCc2cnc[nH]2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is NMFZJLGZWDXTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-8(2)17-11(14-7)15-10(16)4-3-9-5-12-6-13-9/h5-6H,3-4H2,1-2H3,(H,12,13)(H,14,15,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 250.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 110697996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).