1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one

C8H12N6O2S — CID 8594515

IUPAC1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1nnnn1C)C(=O)N1CCNC1=O
InChIInChI=1S/C8H12N6O2S/c1-5(17-8-10-11-12-13(8)2)6(15)14-4-3-9-7(14)16/h5H,3-4H2,1-2H3,(H,9,16)/t5-/m1/s1
InChIKeyZPRRLVORAOTWJR-RXMQYKEDSA-N
MW256.29 g/mol
LogP-0.76
Rot. Bonds3

About 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one

1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 8594515) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one
PubChem CID8594515
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1nnnn1C)C(=O)N1CCNC1=O
InChIInChI=1S/C8H12N6O2S/c1-5(17-8-10-11-12-13(8)2)6(15)14-4-3-9-7(14)16/h5H,3-4H2,1-2H3,(H,9,16)/t5-/m1/s1
InChIKeyZPRRLVORAOTWJR-RXMQYKEDSA-N
XLogP-0.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
CID 9107088
(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 32709491
(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 32709495
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 121583668
2-(1-methyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2630159
1-[2-(1-Cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
CID 9362375
1-[2-[(1-Cyclopentyl-1H-tetrazol-5-yl)thio]-1-oxopropyl]-2-imidazolidinone
CID 16297182
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 71789140
N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide
CID 21295360
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2625069
2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 3908975
N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 7786221

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one (CID 8594515) is 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one is C[C@@H](Sc1nnnn1C)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is ZPRRLVORAOTWJR-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-5(17-8-10-11-12-13(8)2)6(15)14-4-3-9-7(14)16/h5H,3-4H2,1-2H3,(H,9,16)/t5-/m1/s1.
What are the key properties of 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one?
1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 256.29 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 8594515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).