N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

C21H26N4O2S — CID 2467500

IUPACN-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H26N4O2S/c1-5-24(13-18(26)23-21(2,3)4)12-16-11-19(27)25-17(14-28-20(25)22-16)15-9-7-6-8-10-15/h6-11,14H,5,12-13H2,1-4H3,(H,23,26)
InChIKeyNTDIEPGLRQGIHQ-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.16
Rot. Bonds6

About N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (PubChem CID 2467500) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
PubChem CID2467500
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H26N4O2S/c1-5-24(13-18(26)23-21(2,3)4)12-16-11-19(27)25-17(14-28-20(25)22-16)15-9-7-6-8-10-15/h6-11,14H,5,12-13H2,1-4H3,(H,23,26)
InChIKeyNTDIEPGLRQGIHQ-UHFFFAOYSA-N
XLogP3.16
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (CID 2467500) is N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1.
What is the InChIKey of N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The InChIKey is NTDIEPGLRQGIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-5-24(13-18(26)23-21(2,3)4)12-16-11-19(27)25-17(14-28-20(25)22-16)15-9-7-6-8-10-15/h6-11,14H,5,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide has a molecular weight of 398.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is sourced from PubChem (CID 2467500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).