1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one

C14H21N5O2S — CID 18134508

IUPAC1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESCC(Sc1n[nH]c(CC2CCCC2)n1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H21N5O2S/c1-9(12(20)19-7-6-15-14(19)21)22-13-16-11(17-18-13)8-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,15,21)(H,16,17,18)
InChIKeyQAHPZKDHTASJKZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.57
Rot. Bonds5

About 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one

1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 18134508) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
PubChem CID18134508
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESCC(Sc1n[nH]c(CC2CCCC2)n1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H21N5O2S/c1-9(12(20)19-7-6-15-14(19)21)22-13-16-11(17-18-13)8-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,15,21)(H,16,17,18)
InChIKeyQAHPZKDHTASJKZ-UHFFFAOYSA-N
XLogP1.57
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one (CID 18134508) is 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one is CC(Sc1n[nH]c(CC2CCCC2)n1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The InChIKey is QAHPZKDHTASJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-9(12(20)19-7-6-15-14(19)21)22-13-16-11(17-18-13)8-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,15,21)(H,16,17,18).
What are the key properties of 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 323.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 18134508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).