N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide

C15H17N7O3S — CID 91949683

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide
SMILESCn1c(=O)c2[nH]c(CCC(=O)Nc3nnc(C4CC4)s3)nc2n(C)c1=O
InChIInChI=1S/C15H17N7O3S/c1-21-11-10(13(24)22(2)15(21)25)16-8(17-11)5-6-9(23)18-14-20-19-12(26-14)7-3-4-7/h7H,3-6H2,1-2H3,(H,16,17)(H,18,20,23)
InChIKeyRRJPDDCJBZFRLO-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.26
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide (PubChem CID 91949683) has the molecular formula C15H17N7O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide
PubChem CID91949683
Molecular FormulaC15H17N7O3S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide
SMILESCn1c(=O)c2[nH]c(CCC(=O)Nc3nnc(C4CC4)s3)nc2n(C)c1=O
InChIInChI=1S/C15H17N7O3S/c1-21-11-10(13(24)22(2)15(21)25)16-8(17-11)5-6-9(23)18-14-20-19-12(26-14)7-3-4-7/h7H,3-6H2,1-2H3,(H,16,17)(H,18,20,23)
InChIKeyRRJPDDCJBZFRLO-UHFFFAOYSA-N
XLogP0.26
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 91949737
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide
CID 60585898
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide
CID 91949751
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]propanamide
CID 91948014
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 146022296
2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45491341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide
CID 91841216
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
8-(dioxolan-3-ylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
CID 88738024

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide (CID 91949683) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide is Cn1c(=O)c2[nH]c(CCC(=O)Nc3nnc(C4CC4)s3)nc2n(C)c1=O.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide?
The InChIKey is RRJPDDCJBZFRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3S/c1-21-11-10(13(24)22(2)15(21)25)16-8(17-11)5-6-9(23)18-14-20-19-12(26-14)7-3-4-7/h7H,3-6H2,1-2H3,(H,16,17)(H,18,20,23).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide has a molecular weight of 375.41 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide is sourced from PubChem (CID 91949683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).