2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide

C6H10N4OS — CID 23064488

IUPAC2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(N)=O)c(N)[nH]1
InChIInChI=1S/C6H10N4OS/c1-3-9-5(8)6(10-3)12-2-4(7)11/h2,8H2,1H3,(H2,7,11)(H,9,10)
InChIKeyXSZZHZKLTPDDRN-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.12
Rot. Bonds3

About 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide

2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide (PubChem CID 23064488) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide
PubChem CID23064488
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(N)=O)c(N)[nH]1
InChIInChI=1S/C6H10N4OS/c1-3-9-5(8)6(10-3)12-2-4(7)11/h2,8H2,1H3,(H2,7,11)(H,9,10)
InChIKeyXSZZHZKLTPDDRN-UHFFFAOYSA-N
XLogP-0.12
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide (CID 23064488) is 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide is Cc1nc(SCC(N)=O)c(N)[nH]1.
What is the InChIKey of 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide?
The InChIKey is XSZZHZKLTPDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3-9-5(8)6(10-3)12-2-4(7)11/h2,8H2,1H3,(H2,7,11)(H,9,10).
What are the key properties of 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide?
2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide has a molecular weight of 186.24 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 23064488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).