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

C16H25N3O2SSi — CID 163202171

IUPACN-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1nc2[nH]c(C(=O)NC3CCC[Si](C)(C)CCC3)cc2s1
InChIInChI=1S/C16H25N3O2SSi/c1-21-16-19-14-13(22-16)10-12(18-14)15(20)17-11-6-4-8-23(2,3)9-5-7-11/h10-11,18H,4-9H2,1-3H3,(H,17,20)
InChIKeyVUGSPTQJSDKBFF-UHFFFAOYSA-N
MW351.55 g/mol
LogP4.01
Rot. Bonds3

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

N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 163202171) has the molecular formula C16H25N3O2SSi and a molecular weight of 351.55 g/mol. Its IUPAC name is N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID163202171
Molecular FormulaC16H25N3O2SSi
Molecular Weight351.55 g/mol
Exact Mass351.14
IUPAC NameN-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1nc2[nH]c(C(=O)NC3CCC[Si](C)(C)CCC3)cc2s1
InChIInChI=1S/C16H25N3O2SSi/c1-21-16-19-14-13(22-16)10-12(18-14)15(20)17-11-6-4-8-23(2,3)9-5-7-11/h10-11,18H,4-9H2,1-3H3,(H,17,20)
InChIKeyVUGSPTQJSDKBFF-UHFFFAOYSA-N
XLogP4.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 163202171) is N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is COc1nc2[nH]c(C(=O)NC3CCC[Si](C)(C)CCC3)cc2s1.
What is the InChIKey of N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is VUGSPTQJSDKBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2SSi/c1-21-16-19-14-13(22-16)10-12(18-14)15(20)17-11-6-4-8-23(2,3)9-5-7-11/h10-11,18H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 351.55 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethylsilocan-5-yl)-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 163202171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).