3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione

C25H29FN4O3S — CID 45178284

IUPAC3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1nc(C)c(C(=O)N2CCC(C3(Cc4ccc(F)cc4)NC(=O)N(CC4CC4)C3=O)CC2)s1
InChIInChI=1S/C25H29FN4O3S/c1-15-21(34-16(2)27-15)22(31)29-11-9-19(10-12-29)25(13-17-5-7-20(26)8-6-17)23(32)30(24(33)28-25)14-18-3-4-18/h5-8,18-19H,3-4,9-14H2,1-2H3,(H,28,33)
InChIKeyHGIDTPGMEPOVIU-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.69
Rot. Bonds6

About 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione

3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 45178284) has the molecular formula C25H29FN4O3S and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID45178284
Molecular FormulaC25H29FN4O3S
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1nc(C)c(C(=O)N2CCC(C3(Cc4ccc(F)cc4)NC(=O)N(CC4CC4)C3=O)CC2)s1
InChIInChI=1S/C25H29FN4O3S/c1-15-21(34-16(2)27-15)22(31)29-11-9-19(10-12-29)25(13-17-5-7-20(26)8-6-17)23(32)30(24(33)28-25)14-18-3-4-18/h5-8,18-19H,3-4,9-14H2,1-2H3,(H,28,33)
InChIKeyHGIDTPGMEPOVIU-UHFFFAOYSA-N
XLogP3.69
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 45178284) is 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is Cc1nc(C)c(C(=O)N2CCC(C3(Cc4ccc(F)cc4)NC(=O)N(CC4CC4)C3=O)CC2)s1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is HGIDTPGMEPOVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3S/c1-15-21(34-16(2)27-15)22(31)29-11-9-19(10-12-29)25(13-17-5-7-20(26)8-6-17)23(32)30(24(33)28-25)14-18-3-4-18/h5-8,18-19H,3-4,9-14H2,1-2H3,(H,28,33).
What are the key properties of 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 484.60 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45178284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).