1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione

C10H13N5O2S — CID 80608002

IUPAC1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1nnc(Cn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C10H13N5O2S/c1-2-4-11-9-14-13-8(18-9)6-15-5-3-7(16)12-10(15)17/h3,5H,2,4,6H2,1H3,(H,11,14)(H,12,16,17)
InChIKeyJXVGPJWEXPELAB-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.26
Rot. Bonds5

About 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione

1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 80608002) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID80608002
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1nnc(Cn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C10H13N5O2S/c1-2-4-11-9-14-13-8(18-9)6-15-5-3-7(16)12-10(15)17/h3,5H,2,4,6H2,1H3,(H,11,14)(H,12,16,17)
InChIKeyJXVGPJWEXPELAB-UHFFFAOYSA-N
XLogP0.26
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-Fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608648
5-Fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608733
1-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 80608817
2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3362204
3-(2,4-dioxo(1,3-dihydropyrimidinyl))-N-[5-(2-methylpropyl)(1,3,4-thiadiazol-2-yl)]propanamide
CID 17016043
3-(2,4-dioxo(1,3-dihydropyrimidinyl))-N-(5-methyl(1,3,4-thiadiazol-2-yl))propa namide
CID 17016044
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 37682970
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 37683307
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 37684986
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 37685679
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 37725006
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51176083

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (CID 80608002) is 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is CCCNc1nnc(Cn2ccc(=O)[nH]c2=O)s1.
What is the InChIKey of 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is JXVGPJWEXPELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-4-11-9-14-13-8(18-9)6-15-5-3-7(16)12-10(15)17/h3,5H,2,4,6H2,1H3,(H,11,14)(H,12,16,17).
What are the key properties of 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 267.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80608002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).