N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C14H22N4O2SSi — CID 175268754

IUPACN-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1nc2[nH]c(C(=O)N[C@H]3CCC[Si](C)(C)NC3)cc2s1
InChIInChI=1S/C14H22N4O2SSi/c1-20-14-18-12-11(21-14)7-10(17-12)13(19)16-9-5-4-6-22(2,3)15-8-9/h7,9,15,17H,4-6,8H2,1-3H3,(H,16,19)/t9-/m0/s1
InChIKeyGPMKHMRIJAOMTL-VIFPVBQESA-N
MW338.51 g/mol
LogP2.32
Rot. Bonds3

About N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 175268754) has the molecular formula C14H22N4O2SSi and a molecular weight of 338.51 g/mol. Its IUPAC name is N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID175268754
Molecular FormulaC14H22N4O2SSi
Molecular Weight338.51 g/mol
Exact Mass338.12
IUPAC NameN-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1nc2[nH]c(C(=O)N[C@H]3CCC[Si](C)(C)NC3)cc2s1
InChIInChI=1S/C14H22N4O2SSi/c1-20-14-18-12-11(21-14)7-10(17-12)13(19)16-9-5-4-6-22(2,3)15-8-9/h7,9,15,17H,4-6,8H2,1-3H3,(H,16,19)/t9-/m0/s1
InChIKeyGPMKHMRIJAOMTL-VIFPVBQESA-N
XLogP2.32
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 175268754) is N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is COc1nc2[nH]c(C(=O)N[C@H]3CCC[Si](C)(C)NC3)cc2s1.
What is the InChIKey of N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is GPMKHMRIJAOMTL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H22N4O2SSi/c1-20-14-18-12-11(21-14)7-10(17-12)13(19)16-9-5-4-6-22(2,3)15-8-9/h7,9,15,17H,4-6,8H2,1-3H3,(H,16,19)/t9-/m0/s1.
What are the key properties of N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 338.51 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 175268754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).