2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole

C10H6F3N5S2 — CID 99824952

IUPAC2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(SCc2cn3cccnc3n2)s1
InChIInChI=1S/C10H6F3N5S2/c11-10(12,13)7-16-17-9(20-7)19-5-6-4-18-3-1-2-14-8(18)15-6/h1-4H,5H2
InChIKeyGWFZYMCJKDMLPW-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.89
Rot. Bonds3

About 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 99824952) has the molecular formula C10H6F3N5S2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID99824952
Molecular FormulaC10H6F3N5S2
Molecular Weight317.32 g/mol
Exact Mass317.00
IUPAC Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(SCc2cn3cccnc3n2)s1
InChIInChI=1S/C10H6F3N5S2/c11-10(12,13)7-16-17-9(20-7)19-5-6-4-18-3-1-2-14-8(18)15-6/h1-4H,5H2
InChIKeyGWFZYMCJKDMLPW-UHFFFAOYSA-N
XLogP2.89
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole 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

N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 3631724
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787304
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 693030
[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630146
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 700171
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
CID 64929348
3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 43303479
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 43213368
4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
CID 2997679
3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid
CID 79790769
[4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63314468
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
CID 43302389

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 99824952) is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(SCc2cn3cccnc3n2)s1.
What is the InChIKey of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is GWFZYMCJKDMLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5S2/c11-10(12,13)7-16-17-9(20-7)19-5-6-4-18-3-1-2-14-8(18)15-6/h1-4H,5H2.
What are the key properties of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 317.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 99824952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).