2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide

C12H19N7O3S — CID 91835256

IUPAC2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)NCCSc2nnnn2C)C1=O
InChIInChI=1S/C12H19N7O3S/c1-3-5-19-10(21)8(14-11(19)22)7-9(20)13-4-6-23-12-15-16-17-18(12)2/h8H,3-7H2,1-2H3,(H,13,20)(H,14,22)
InChIKeyVFBBRKAMKNEVTB-UHFFFAOYSA-N
MW341.40 g/mol
LogP-0.86
Rot. Bonds8

About 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide

2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide (PubChem CID 91835256) has the molecular formula C12H19N7O3S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
PubChem CID91835256
Molecular FormulaC12H19N7O3S
Molecular Weight341.40 g/mol
Exact Mass341.13
IUPAC Name2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)NCCSc2nnnn2C)C1=O
InChIInChI=1S/C12H19N7O3S/c1-3-5-19-10(21)8(14-11(19)22)7-9(20)13-4-6-23-12-15-16-17-18(12)2/h8H,3-7H2,1-2H3,(H,13,20)(H,14,22)
InChIKeyVFBBRKAMKNEVTB-UHFFFAOYSA-N
XLogP-0.86
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]acetamide
CID 99941492
2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide
CID 124750855
2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 77098009
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62578341
(2S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1-propanoylpyrrolidine-2-carboxamide
CID 118790165
2-[(4-fluorophenyl)methyl-methylamino]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
CID 91789990
2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70752444
cis-(1R,2S)-1-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-N-prop-2-enylcyclohexane-1,2-dicarboxamide
CID 133118239
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91771033
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide
CID 77090031

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide?
The IUPAC name of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide (CID 91835256) is 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide is CCCN1C(=O)NC(CC(=O)NCCSc2nnnn2C)C1=O.
What is the InChIKey of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide?
The InChIKey is VFBBRKAMKNEVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O3S/c1-3-5-19-10(21)8(14-11(19)22)7-9(20)13-4-6-23-12-15-16-17-18(12)2/h8H,3-7H2,1-2H3,(H,13,20)(H,14,22).
What are the key properties of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide?
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide has a molecular weight of 341.40 g/mol, XLogP of -0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide is sourced from PubChem (CID 91835256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).