5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C11H12N6S2 — CID 3000019

IUPAC5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)n2cc(CSc3nnc(N)s3)nc2n1
InChIInChI=1S/C11H12N6S2/c1-6-3-7(2)17-4-8(14-10(17)13-6)5-18-11-16-15-9(12)19-11/h3-4H,5H2,1-2H3,(H2,12,15)
InChIKeyRTMKDBJJKRGOIO-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.07
Rot. Bonds3

About 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 3000019) has the molecular formula C11H12N6S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID3000019
Molecular FormulaC11H12N6S2
Molecular Weight292.39 g/mol
Exact Mass292.06
IUPAC Name5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)n2cc(CSc3nnc(N)s3)nc2n1
InChIInChI=1S/C11H12N6S2/c1-6-3-7(2)17-4-8(14-10(17)13-6)5-18-11-16-15-9(12)19-11/h3-4H,5H2,1-2H3,(H2,12,15)
InChIKeyRTMKDBJJKRGOIO-UHFFFAOYSA-N
XLogP2.07
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 3000019) is 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1cc(C)n2cc(CSc3nnc(N)s3)nc2n1.
What is the InChIKey of 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RTMKDBJJKRGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S2/c1-6-3-7(2)17-4-8(14-10(17)13-6)5-18-11-16-15-9(12)19-11/h3-4H,5H2,1-2H3,(H2,12,15).
What are the key properties of 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 292.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3000019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).