2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide

C16H15N5O3S — CID 126826629

IUPAC2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC1(c2nsc(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)n2)CC1
InChIInChI=1S/C16H15N5O3S/c1-16(6-7-16)13-19-14(25-20-13)17-11(22)8-21-10-5-3-2-4-9(10)12(23)18-15(21)24/h2-5H,6-8H2,1H3,(H,18,23,24)(H,17,19,20,22)
InChIKeyNKIQDKVHBAMRDZ-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.23
Rot. Bonds4

About 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide

2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 126826629) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID126826629
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC1(c2nsc(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)n2)CC1
InChIInChI=1S/C16H15N5O3S/c1-16(6-7-16)13-19-14(25-20-13)17-11(22)8-21-10-5-3-2-4-9(10)12(23)18-15(21)24/h2-5H,6-8H2,1H3,(H,18,23,24)(H,17,19,20,22)
InChIKeyNKIQDKVHBAMRDZ-UHFFFAOYSA-N
XLogP1.23
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 126826629) is 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide is CC1(c2nsc(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)n2)CC1.
What is the InChIKey of 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is NKIQDKVHBAMRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-16(6-7-16)13-19-14(25-20-13)17-11(22)8-21-10-5-3-2-4-9(10)12(23)18-15(21)24/h2-5H,6-8H2,1H3,(H,18,23,24)(H,17,19,20,22).
What are the key properties of 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 357.40 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 126826629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).