1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea

C16H19N5O2S — CID 94101832

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
SMILESCc1nnc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)s1
InChIInChI=1S/C16H19N5O2S/c1-11-19-20-16(24-11)18-15(23)17-13(12-6-3-2-4-7-12)10-21-9-5-8-14(21)22/h2-4,6-7,13H,5,8-10H2,1H3,(H2,17,18,20,23)/t13-/m0/s1
InChIKeyMVMVVFMUWVIZHS-ZDUSSCGKSA-N
MW345.43 g/mol
LogP2.33
Rot. Bonds5

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea (PubChem CID 94101832) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
PubChem CID94101832
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
SMILESCc1nnc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)s1
InChIInChI=1S/C16H19N5O2S/c1-11-19-20-16(24-11)18-15(23)17-13(12-6-3-2-4-7-12)10-21-9-5-8-14(21)22/h2-4,6-7,13H,5,8-10H2,1H3,(H2,17,18,20,23)/t13-/m0/s1
InChIKeyMVMVVFMUWVIZHS-ZDUSSCGKSA-N
XLogP2.33
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea (CID 94101832) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea is Cc1nnc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea?
The InChIKey is MVMVVFMUWVIZHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11-19-20-16(24-11)18-15(23)17-13(12-6-3-2-4-7-12)10-21-9-5-8-14(21)22/h2-4,6-7,13H,5,8-10H2,1H3,(H2,17,18,20,23)/t13-/m0/s1.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea has a molecular weight of 345.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea is sourced from PubChem (CID 94101832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).