1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one

C18H21N5O2S — CID 58051081

IUPAC1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)CCc1ncccn1
InChIInChI=1S/C18H21N5O2S/c1-12-16(14(24)5-6-15-19-7-2-8-20-15)26-17(21-12)23-10-9-22(18(23)25)11-13-3-4-13/h2,7-8,13H,3-6,9-11H2,1H3
InChIKeyAFSUONYMJMKFLZ-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.71
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one

1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 58051081) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID58051081
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)CCc1ncccn1
InChIInChI=1S/C18H21N5O2S/c1-12-16(14(24)5-6-15-19-7-2-8-20-15)26-17(21-12)23-10-9-22(18(23)25)11-13-3-4-13/h2,7-8,13H,3-6,9-11H2,1H3
InChIKeyAFSUONYMJMKFLZ-UHFFFAOYSA-N
XLogP2.71
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (CID 58051081) is 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)CCc1ncccn1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is AFSUONYMJMKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-16(14(24)5-6-15-19-7-2-8-20-15)26-17(21-12)23-10-9-22(18(23)25)11-13-3-4-13/h2,7-8,13H,3-6,9-11H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 371.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58051081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).