N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

C24H24Cl2N4O5S — CID 46918372

IUPACN-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
SMILESCc1oc2c(c1CC(=O)Nc1nc(-c3cc(Cl)c(OCC(C)C)c(Cl)c3)cs1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C24H24Cl2N4O5S/c1-11(2)9-34-20-15(25)6-13(7-16(20)26)17-10-36-23(27-17)28-18(31)8-14-12(3)35-22-19(14)21(32)29(4)24(33)30(22)5/h6-7,10-11H,8-9H2,1-5H3,(H,27,28,31)
InChIKeyHFTZDURZNKGJNR-UHFFFAOYSA-N
MW551.45 g/mol
LogP4.78
Rot. Bonds7

About N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 46918372) has the molecular formula C24H24Cl2N4O5S and a molecular weight of 551.45 g/mol. Its IUPAC name is N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
PubChem CID46918372
Molecular FormulaC24H24Cl2N4O5S
Molecular Weight551.45 g/mol
Exact Mass550.08
IUPAC NameN-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
SMILESCc1oc2c(c1CC(=O)Nc1nc(-c3cc(Cl)c(OCC(C)C)c(Cl)c3)cs1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C24H24Cl2N4O5S/c1-11(2)9-34-20-15(25)6-13(7-16(20)26)17-10-36-23(27-17)28-18(31)8-14-12(3)35-22-19(14)21(32)29(4)24(33)30(22)5/h6-7,10-11H,8-9H2,1-5H3,(H,27,28,31)
InChIKeyHFTZDURZNKGJNR-UHFFFAOYSA-N
XLogP4.78
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide 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 N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (CID 46918372) is N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is Cc1oc2c(c1CC(=O)Nc1nc(-c3cc(Cl)c(OCC(C)C)c(Cl)c3)cs1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The InChIKey is HFTZDURZNKGJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O5S/c1-11(2)9-34-20-15(25)6-13(7-16(20)26)17-10-36-23(27-17)28-18(31)8-14-12(3)35-22-19(14)21(32)29(4)24(33)30(22)5/h6-7,10-11H,8-9H2,1-5H3,(H,27,28,31).
What are the key properties of N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 551.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 46918372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).