7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C18H21N5OS — CID 18147134

IUPAC7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(NCC(c3ccccc3)N3CCCC3)sc2n1
InChIInChI=1S/C18H21N5OS/c1-13-11-16(24)23-18(20-13)25-17(21-23)19-12-15(22-9-5-6-10-22)14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,19,21)
InChIKeyRLQQRURRHUWOFM-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.71
Rot. Bonds5

About 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18147134) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID18147134
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(NCC(c3ccccc3)N3CCCC3)sc2n1
InChIInChI=1S/C18H21N5OS/c1-13-11-16(24)23-18(20-13)25-17(21-23)19-12-15(22-9-5-6-10-22)14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,19,21)
InChIKeyRLQQRURRHUWOFM-UHFFFAOYSA-N
XLogP2.71
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 18147134) is 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(NCC(c3ccccc3)N3CCCC3)sc2n1.
What is the InChIKey of 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RLQQRURRHUWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13-11-16(24)23-18(20-13)25-17(21-23)19-12-15(22-9-5-6-10-22)14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,19,21).
What are the key properties of 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 355.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18147134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).