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

C18H27N3OSSi — CID 163201826

IUPAC2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCCCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)CC1
InChIInChI=1S/C18H27N3OSSi/c1-24(2)9-4-3-5-13(8-10-24)19-17(22)14-11-15-16(20-14)21-18(23-15)12-6-7-12/h11-13,20H,3-10H2,1-2H3,(H,19,22)
InChIKeyAPOYQQZQEPFAOS-UHFFFAOYSA-N
MW361.59 g/mol
LogP4.88
Rot. Bonds3

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

2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 163201826) has the molecular formula C18H27N3OSSi and a molecular weight of 361.59 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID163201826
Molecular FormulaC18H27N3OSSi
Molecular Weight361.59 g/mol
Exact Mass361.16
IUPAC Name2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCCCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)CC1
InChIInChI=1S/C18H27N3OSSi/c1-24(2)9-4-3-5-13(8-10-24)19-17(22)14-11-15-16(20-14)21-18(23-15)12-6-7-12/h11-13,20H,3-10H2,1-2H3,(H,19,22)
InChIKeyAPOYQQZQEPFAOS-UHFFFAOYSA-N
XLogP4.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 54.88
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-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 163201826) is 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is C[Si]1(C)CCCCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)CC1.
What is the InChIKey of 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is APOYQQZQEPFAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OSSi/c1-24(2)9-4-3-5-13(8-10-24)19-17(22)14-11-15-16(20-14)21-18(23-15)12-6-7-12/h11-13,20H,3-10H2,1-2H3,(H,19,22).
What are the key properties of 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 361.59 g/mol, XLogP of 4.88, 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-dimethylsilocan-4-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 163201826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).