N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide

C9H10N4OS — CID 175942041

IUPACN-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2nc(C)cs2)[nH]1
InChIInChI=1S/C9H10N4OS/c1-5-4-15-8(11-5)7-3-10-9(13-7)12-6(2)14/h3-4H,1-2H3,(H2,10,12,13,14)
InChIKeyZFUIDQYVMGEXRU-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.80
Rot. Bonds2

About N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide

N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide (PubChem CID 175942041) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide
PubChem CID175942041
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC NameN-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2nc(C)cs2)[nH]1
InChIInChI=1S/C9H10N4OS/c1-5-4-15-8(11-5)7-3-10-9(13-7)12-6(2)14/h3-4H,1-2H3,(H2,10,12,13,14)
InChIKeyZFUIDQYVMGEXRU-UHFFFAOYSA-N
XLogP1.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide (CID 175942041) is N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide is CC(=O)Nc1ncc(-c2nc(C)cs2)[nH]1.
What is the InChIKey of N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide?
The InChIKey is ZFUIDQYVMGEXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-4-15-8(11-5)7-3-10-9(13-7)12-6(2)14/h3-4H,1-2H3,(H2,10,12,13,14).
What are the key properties of N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide?
N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide has a molecular weight of 222.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 175942041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).