4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C19H22FN3OSSi — CID 175742918

IUPAC4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCC(n2c(C(N)=O)cc3sc(-c4ccccc4F)nc32)CC1
InChIInChI=1S/C19H22FN3OSSi/c1-26(2)9-7-12(8-10-26)23-15(17(21)24)11-16-18(23)22-19(25-16)13-5-3-4-6-14(13)20/h3-6,11-12H,7-10H2,1-2H3,(H2,21,24)
InChIKeyPVAUUVYHEYUQRF-UHFFFAOYSA-N
MW387.56 g/mol
LogP5.05
Rot. Bonds3

About 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 175742918) has the molecular formula C19H22FN3OSSi and a molecular weight of 387.56 g/mol. Its IUPAC name is 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID175742918
Molecular FormulaC19H22FN3OSSi
Molecular Weight387.56 g/mol
Exact Mass387.12
IUPAC Name4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCC(n2c(C(N)=O)cc3sc(-c4ccccc4F)nc32)CC1
InChIInChI=1S/C19H22FN3OSSi/c1-26(2)9-7-12(8-10-26)23-15(17(21)24)11-16-18(23)22-19(25-16)13-5-3-4-6-14(13)20/h3-6,11-12H,7-10H2,1-2H3,(H2,21,24)
InChIKeyPVAUUVYHEYUQRF-UHFFFAOYSA-N
XLogP5.05
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.56
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide 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 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 175742918) is 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is C[Si]1(C)CCC(n2c(C(N)=O)cc3sc(-c4ccccc4F)nc32)CC1.
What is the InChIKey of 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is PVAUUVYHEYUQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OSSi/c1-26(2)9-7-12(8-10-26)23-15(17(21)24)11-16-18(23)22-19(25-16)13-5-3-4-6-14(13)20/h3-6,11-12H,7-10H2,1-2H3,(H2,21,24).
What are the key properties of 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 387.56 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dimethylsilinan-4-yl)-2-(2-fluorophenyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 175742918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).