6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione

C20H24N6O3S2 — CID 24522272

IUPAC6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnc(Nc3c(C)cccc3CC)s2)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N6O3S2/c1-4-9-26-16(21)14(17(28)23-19(26)29)13(27)10-30-20-25-24-18(31-20)22-15-11(3)7-6-8-12(15)5-2/h6-8H,4-5,9-10,21H2,1-3H3,(H,22,24)(H,23,28,29)
InChIKeyWHZDLUOSDRKEEF-UHFFFAOYSA-N
MW460.59 g/mol
LogP2.97
Rot. Bonds9

About 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 24522272) has the molecular formula C20H24N6O3S2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID24522272
Molecular FormulaC20H24N6O3S2
Molecular Weight460.59 g/mol
Exact Mass460.14
IUPAC Name6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnc(Nc3c(C)cccc3CC)s2)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N6O3S2/c1-4-9-26-16(21)14(17(28)23-19(26)29)13(27)10-30-20-25-24-18(31-20)22-15-11(3)7-6-8-12(15)5-2/h6-8H,4-5,9-10,21H2,1-3H3,(H,22,24)(H,23,28,29)
InChIKeyWHZDLUOSDRKEEF-UHFFFAOYSA-N
XLogP2.97
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 24522178
6-amino-5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24570459
6-amino-5-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42370683
6-amino-5-[2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42045390
6-amino-1-(2-methoxyethyl)-5-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24572514
2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 41458662
6-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 9477587
N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide
CID 24527779
6-amino-5-[2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 33083049
2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 2385843
2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 55443073
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 55846603

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (CID 24522272) is 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nnc(Nc3c(C)cccc3CC)s2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is WHZDLUOSDRKEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S2/c1-4-9-26-16(21)14(17(28)23-19(26)29)13(27)10-30-20-25-24-18(31-20)22-15-11(3)7-6-8-12(15)5-2/h6-8H,4-5,9-10,21H2,1-3H3,(H,22,24)(H,23,28,29).
What are the key properties of 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 460.59 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 24522272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).