N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide

C25H23FN4O4S — CID 44594277

IUPACN-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OCC5CC5)c(F)c4)cs3)cccc2n(C)c1=O
InChIInChI=1S/C25H23FN4O4S/c1-29-19-5-3-4-16(22(19)23(32)30(2)25(29)33)11-21(31)28-24-27-18(13-35-24)15-8-9-20(17(26)10-15)34-12-14-6-7-14/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3,(H,27,28,31)
InChIKeyVYPYMULUDCLSPE-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.47
Rot. Bonds7

About N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide

N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide (PubChem CID 44594277) has the molecular formula C25H23FN4O4S and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide
PubChem CID44594277
Molecular FormulaC25H23FN4O4S
Molecular Weight494.55 g/mol
Exact Mass494.14
IUPAC NameN-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OCC5CC5)c(F)c4)cs3)cccc2n(C)c1=O
InChIInChI=1S/C25H23FN4O4S/c1-29-19-5-3-4-16(22(19)23(32)30(2)25(29)33)11-21(31)28-24-27-18(13-35-24)15-8-9-20(17(26)10-15)34-12-14-6-7-14/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3,(H,27,28,31)
InChIKeyVYPYMULUDCLSPE-UHFFFAOYSA-N
XLogP3.47
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-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-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide?
The IUPAC name of N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide (CID 44594277) is N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide.
What is the SMILES notation for N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide?
The canonical SMILES for N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide is Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OCC5CC5)c(F)c4)cs3)cccc2n(C)c1=O.
What is the InChIKey of N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide?
The InChIKey is VYPYMULUDCLSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4S/c1-29-19-5-3-4-16(22(19)23(32)30(2)25(29)33)11-21(31)28-24-27-18(13-35-24)15-8-9-20(17(26)10-15)34-12-14-6-7-14/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3,(H,27,28,31).
What are the key properties of N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide?
N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide has a molecular weight of 494.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide is sourced from PubChem (CID 44594277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).