3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide

C15H20N4O3S — CID 91844255

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(C(C)C)sc1CNC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O3S/c1-9(2)14-17-10(3)11(23-14)8-16-12(20)4-6-19-7-5-13(21)18-15(19)22/h5,7,9H,4,6,8H2,1-3H3,(H,16,20)(H,18,21,22)
InChIKeyQSMDNKQRNIPSLP-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.13
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 91844255) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID91844255
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(C(C)C)sc1CNC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O3S/c1-9(2)14-17-10(3)11(23-14)8-16-12(20)4-6-19-7-5-13(21)18-15(19)22/h5,7,9H,4,6,8H2,1-3H3,(H,16,20)(H,18,21,22)
InChIKeyQSMDNKQRNIPSLP-UHFFFAOYSA-N
XLogP1.13
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide (CID 91844255) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide is Cc1nc(C(C)C)sc1CNC(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is QSMDNKQRNIPSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9(2)14-17-10(3)11(23-14)8-16-12(20)4-6-19-7-5-13(21)18-15(19)22/h5,7,9H,4,6,8H2,1-3H3,(H,16,20)(H,18,21,22).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 336.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 91844255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).