N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C15H20N4O3S — CID 95226256

IUPACN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC[C@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1nc(C)c(C)s1
InChIInChI=1S/C15H20N4O3S/c1-5-11(14-16-9(3)10(4)23-14)17-12(20)7-19-6-8(2)13(21)18-15(19)22/h6,11H,5,7H2,1-4H3,(H,17,20)(H,18,21,22)/t11-/m0/s1
InChIKeyMDQRLBGISIOQMQ-NSHDSACASA-N
MW336.42 g/mol
LogP1.19
Rot. Bonds5

About N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 95226256) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID95226256
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC[C@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1nc(C)c(C)s1
InChIInChI=1S/C15H20N4O3S/c1-5-11(14-16-9(3)10(4)23-14)17-12(20)7-19-6-8(2)13(21)18-15(19)22/h6,11H,5,7H2,1-4H3,(H,17,20)(H,18,21,22)/t11-/m0/s1
InChIKeyMDQRLBGISIOQMQ-NSHDSACASA-N
XLogP1.19
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 95226256) is N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CC[C@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1nc(C)c(C)s1.
What is the InChIKey of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is MDQRLBGISIOQMQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-11(14-16-9(3)10(4)23-14)17-12(20)7-19-6-8(2)13(21)18-15(19)22/h6,11H,5,7H2,1-4H3,(H,17,20)(H,18,21,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 95226256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).