carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C16H23N3O4S — CID 159765137

IUPACcarbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCN1C(=O)c1csc(C(=O)NCC(C)(C)C)n1.O=C=O
InChIInChI=1S/C15H23N3O2S.CO2/c1-10-6-5-7-18(10)14(20)11-8-21-13(17-11)12(19)16-9-15(2,3)4;2-1-3/h8,10H,5-7,9H2,1-4H3,(H,16,19);/t10-;/m0./s1
InChIKeyNFJZUBWPEXHNKF-PPHPATTJSA-N
MW353.44 g/mol
LogP1.96
Rot. Bonds3

About carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 159765137) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Namecarbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID159765137
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Namecarbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCN1C(=O)c1csc(C(=O)NCC(C)(C)C)n1.O=C=O
InChIInChI=1S/C15H23N3O2S.CO2/c1-10-6-5-7-18(10)14(20)11-8-21-13(17-11)12(19)16-9-15(2,3)4;2-1-3/h8,10H,5-7,9H2,1-4H3,(H,16,19);/t10-;/m0./s1
InChIKeyNFJZUBWPEXHNKF-PPHPATTJSA-N
XLogP1.96
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 159765137) is carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is C[C@H]1CCCN1C(=O)c1csc(C(=O)NCC(C)(C)C)n1.O=C=O.
What is the InChIKey of carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is NFJZUBWPEXHNKF-PPHPATTJSA-N. The full InChI is InChI=1S/C15H23N3O2S.CO2/c1-10-6-5-7-18(10)14(20)11-8-21-13(17-11)12(19)16-9-15(2,3)4;2-1-3/h8,10H,5-7,9H2,1-4H3,(H,16,19);/t10-;/m0./s1.
What are the key properties of carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 159765137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).