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

C15H21N3OSSi — CID 163202170

IUPAC2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)C1
InChIInChI=1S/C15H21N3OSSi/c1-21(2)6-5-10(8-21)16-14(19)11-7-12-13(17-11)18-15(20-12)9-3-4-9/h7,9-10,17H,3-6,8H2,1-2H3,(H,16,19)
InChIKeyAMGDXAZYZAWBBK-UHFFFAOYSA-N
MW319.51 g/mol
LogP3.71
Rot. Bonds3

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

2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 163202170) has the molecular formula C15H21N3OSSi and a molecular weight of 319.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID163202170
Molecular FormulaC15H21N3OSSi
Molecular Weight319.51 g/mol
Exact Mass319.12
IUPAC Name2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)C1
InChIInChI=1S/C15H21N3OSSi/c1-21(2)6-5-10(8-21)16-14(19)11-7-12-13(17-11)18-15(20-12)9-3-4-9/h7,9-10,17H,3-6,8H2,1-2H3,(H,16,19)
InChIKeyAMGDXAZYZAWBBK-UHFFFAOYSA-N
XLogP3.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 163202170) is 2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is C[Si]1(C)CCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)C1.
What is the InChIKey of 2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is AMGDXAZYZAWBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OSSi/c1-21(2)6-5-10(8-21)16-14(19)11-7-12-13(17-11)18-15(20-12)9-3-4-9/h7,9-10,17H,3-6,8H2,1-2H3,(H,16,19).
What are the key properties of 2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
2-cyclopropyl-N-(1,1-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 319.51 g/mol, XLogP of 3.71, 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-dimethylsilolan-3-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 163202170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).