N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C15H17BrN4O3S — CID 166343550

IUPACN-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CC(C)N(C(=O)c2onc(Br)c2C)C1
InChIInChI=1S/C15H17BrN4O3S/c1-7-4-10(18-14(21)12-9(3)17-6-24-12)5-20(7)15(22)11-8(2)13(16)19-23-11/h6-7,10H,4-5H2,1-3H3,(H,18,21)
InChIKeyXHSTWIMCARKCKL-UHFFFAOYSA-N
MW413.30 g/mol
LogP2.54
Rot. Bonds3

About N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 166343550) has the molecular formula C15H17BrN4O3S and a molecular weight of 413.30 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID166343550
Molecular FormulaC15H17BrN4O3S
Molecular Weight413.30 g/mol
Exact Mass412.02
IUPAC NameN-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CC(C)N(C(=O)c2onc(Br)c2C)C1
InChIInChI=1S/C15H17BrN4O3S/c1-7-4-10(18-14(21)12-9(3)17-6-24-12)5-20(7)15(22)11-8(2)13(16)19-23-11/h6-7,10H,4-5H2,1-3H3,(H,18,21)
InChIKeyXHSTWIMCARKCKL-UHFFFAOYSA-N
XLogP2.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 166343550) is N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CC(C)N(C(=O)c2onc(Br)c2C)C1.
What is the InChIKey of N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XHSTWIMCARKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3S/c1-7-4-10(18-14(21)12-9(3)17-6-24-12)5-20(7)15(22)11-8(2)13(16)19-23-11/h6-7,10H,4-5H2,1-3H3,(H,18,21).
What are the key properties of N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 413.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166343550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).