5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole

C10H13N3S — CID 20775683

IUPAC5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole
SMILESCc1cc(C)n(C)c1-c1nnsc1C
InChIInChI=1S/C10H13N3S/c1-6-5-7(2)13(4)10(6)9-8(3)14-12-11-9/h5H,1-4H3
InChIKeyDJBBEQMMTPQJFA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.47
Rot. Bonds1

About 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole

5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole (PubChem CID 20775683) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole.

Molecular Properties

Compound Name5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole
PubChem CID20775683
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole
SMILESCc1cc(C)n(C)c1-c1nnsc1C
InChIInChI=1S/C10H13N3S/c1-6-5-7(2)13(4)10(6)9-8(3)14-12-11-9/h5H,1-4H3
InChIKeyDJBBEQMMTPQJFA-UHFFFAOYSA-N
XLogP2.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole?
The IUPAC name of 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole (CID 20775683) is 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole.
What is the SMILES notation for 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole?
The canonical SMILES for 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole is Cc1cc(C)n(C)c1-c1nnsc1C.
What is the InChIKey of 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole?
The InChIKey is DJBBEQMMTPQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6-5-7(2)13(4)10(6)9-8(3)14-12-11-9/h5H,1-4H3.
What are the key properties of 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole?
5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole has a molecular weight of 207.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole is sourced from PubChem (CID 20775683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).