2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide

C16H29N3O2S — CID 49021522

IUPAC2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C16H29N3O2S/c1-12-13(22-15(18-12)16(2,3)4)14(20)17-8-7-9-19(5)10-11-21-6/h7-11H2,1-6H3,(H,17,20)
InChIKeyYHVBOJFKTGQILP-UHFFFAOYSA-N
MW327.49 g/mol
LogP2.45
Rot. Bonds8

About 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49021522) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49021522
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Name2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C16H29N3O2S/c1-12-13(22-15(18-12)16(2,3)4)14(20)17-8-7-9-19(5)10-11-21-6/h7-11H2,1-6H3,(H,17,20)
InChIKeyYHVBOJFKTGQILP-UHFFFAOYSA-N
XLogP2.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49021522) is 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide is COCCN(C)CCCNC(=O)c1sc(C(C)(C)C)nc1C.
What is the InChIKey of 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YHVBOJFKTGQILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-12-13(22-15(18-12)16(2,3)4)14(20)17-8-7-9-19(5)10-11-21-6/h7-11H2,1-6H3,(H,17,20).
What are the key properties of 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 327.49 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49021522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).