N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C15H20N4O3S — CID 95614795

IUPACN-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H20N4O3S/c1-9(13-17-10(8-23-13)15(2,3)4)16-12(21)7-19-6-5-11(20)18-14(19)22/h5-6,8-9H,7H2,1-4H3,(H,16,21)(H,18,20,22)/t9-/m0/s1
InChIKeyDGBRTPRNCRAREP-VIFPVBQESA-N
MW336.42 g/mol
LogP1.17
Rot. Bonds4

About N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 95614795) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID95614795
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H20N4O3S/c1-9(13-17-10(8-23-13)15(2,3)4)16-12(21)7-19-6-5-11(20)18-14(19)22/h5-6,8-9H,7H2,1-4H3,(H,16,21)(H,18,20,22)/t9-/m0/s1
InChIKeyDGBRTPRNCRAREP-VIFPVBQESA-N
XLogP1.17
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 95614795) is N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is DGBRTPRNCRAREP-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9(13-17-10(8-23-13)15(2,3)4)16-12(21)7-19-6-5-11(20)18-14(19)22/h5-6,8-9H,7H2,1-4H3,(H,16,21)(H,18,20,22)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 95614795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).