5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide

C9H13N5O3S — CID 106369057

IUPAC5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(N)ncn2C)o1
InChIInChI=1S/C9H13N5O3S/c1-6-3-11-7(17-6)4-13-18(15,16)9-8(10)12-5-14(9)2/h3,5,13H,4,10H2,1-2H3
InChIKeyZXAMUZNQRBBAPT-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.22
Rot. Bonds4

About 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide

5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide (PubChem CID 106369057) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide
PubChem CID106369057
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(N)ncn2C)o1
InChIInChI=1S/C9H13N5O3S/c1-6-3-11-7(17-6)4-13-18(15,16)9-8(10)12-5-14(9)2/h3,5,13H,4,10H2,1-2H3
InChIKeyZXAMUZNQRBBAPT-UHFFFAOYSA-N
XLogP-0.22
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide (CID 106369057) is 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide is Cc1cnc(CNS(=O)(=O)c2c(N)ncn2C)o1.
What is the InChIKey of 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is ZXAMUZNQRBBAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-6-3-11-7(17-6)4-13-18(15,16)9-8(10)12-5-14(9)2/h3,5,13H,4,10H2,1-2H3.
What are the key properties of 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide?
5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 106369057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).