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

C16H23N3OSSi — CID 163201796

IUPAC2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)CC1
InChIInChI=1S/C16H23N3OSSi/c1-22(2)7-5-11(6-8-22)17-15(20)12-9-13-14(18-12)19-16(21-13)10-3-4-10/h9-11,18H,3-8H2,1-2H3,(H,17,20)
InChIKeyHFWGZWDQAMHOPC-UHFFFAOYSA-N
MW333.53 g/mol
LogP4.10
Rot. Bonds3

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

2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 163201796) has the molecular formula C16H23N3OSSi and a molecular weight of 333.53 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID163201796
Molecular FormulaC16H23N3OSSi
Molecular Weight333.53 g/mol
Exact Mass333.13
IUPAC Name2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)CC1
InChIInChI=1S/C16H23N3OSSi/c1-22(2)7-5-11(6-8-22)17-15(20)12-9-13-14(18-12)19-16(21-13)10-3-4-10/h9-11,18H,3-8H2,1-2H3,(H,17,20)
InChIKeyHFWGZWDQAMHOPC-UHFFFAOYSA-N
XLogP4.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-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 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 163201796) is 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is C[Si]1(C)CCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)CC1.
What is the InChIKey of 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is HFWGZWDQAMHOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OSSi/c1-22(2)7-5-11(6-8-22)17-15(20)12-9-13-14(18-12)19-16(21-13)10-3-4-10/h9-11,18H,3-8H2,1-2H3,(H,17,20).
What are the key properties of 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 333.53 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1,1-dimethylsilinan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 163201796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).