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

C18H19ClN6O3S2 — CID 24522178

IUPAC6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnc(Nc3ccc(C)c(Cl)c3)s2)c(=O)[nH]c1=O
InChIInChI=1S/C18H19ClN6O3S2/c1-3-6-25-14(20)13(15(27)22-17(25)28)12(26)8-29-18-24-23-16(30-18)21-10-5-4-9(2)11(19)7-10/h4-5,7H,3,6,8,20H2,1-2H3,(H,21,23)(H,22,27,28)
InChIKeyMQLFHAUXMVYAHJ-UHFFFAOYSA-N
MW466.98 g/mol
LogP3.06
Rot. Bonds8

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

6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 24522178) has the molecular formula C18H19ClN6O3S2 and a molecular weight of 466.98 g/mol. Its IUPAC name is 6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID24522178
Molecular FormulaC18H19ClN6O3S2
Molecular Weight466.98 g/mol
Exact Mass466.06
IUPAC Name6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnc(Nc3ccc(C)c(Cl)c3)s2)c(=O)[nH]c1=O
InChIInChI=1S/C18H19ClN6O3S2/c1-3-6-25-14(20)13(15(27)22-17(25)28)12(26)8-29-18-24-23-16(30-18)21-10-5-4-9(2)11(19)7-10/h4-5,7H,3,6,8,20H2,1-2H3,(H,21,23)(H,22,27,28)
InChIKeyMQLFHAUXMVYAHJ-UHFFFAOYSA-N
XLogP3.06
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.98
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 24522272
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
2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
CID 24519423
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
6-amino-1-benzyl-3-methyl-5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 3972754
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
N-(3-chloro-4-methylphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7754303
2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 27061853
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27788858
6-amino-5-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 4857132
6-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55476850

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (CID 24522178) is 6-amino-5-[2-[[5-(3-chloro-4-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-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nnc(Nc3ccc(C)c(Cl)c3)s2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is MQLFHAUXMVYAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O3S2/c1-3-6-25-14(20)13(15(27)22-17(25)28)12(26)8-29-18-24-23-16(30-18)21-10-5-4-9(2)11(19)7-10/h4-5,7H,3,6,8,20H2,1-2H3,(H,21,23)(H,22,27,28).
What are the key properties of 6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 466.98 g/mol, XLogP of 3.06, 8 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-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 24522178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).