N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine

C16H15N3OS2 — CID 108774333

IUPACN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc2c(c1)C(Nc1nnc(-c3cccs3)s1)CCO2
InChIInChI=1S/C16H15N3OS2/c1-10-4-5-13-11(9-10)12(6-7-20-13)17-16-19-18-15(22-16)14-3-2-8-21-14/h2-5,8-9,12H,6-7H2,1H3,(H,17,19)
InChIKeyGQYZULPMOBRZSF-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.51
Rot. Bonds3

About N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine

N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 108774333) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID108774333
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc2c(c1)C(Nc1nnc(-c3cccs3)s1)CCO2
InChIInChI=1S/C16H15N3OS2/c1-10-4-5-13-11(9-10)12(6-7-20-13)17-16-19-18-15(22-16)14-3-2-8-21-14/h2-5,8-9,12H,6-7H2,1H3,(H,17,19)
InChIKeyGQYZULPMOBRZSF-UHFFFAOYSA-N
XLogP4.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine (CID 108774333) is N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine is Cc1ccc2c(c1)C(Nc1nnc(-c3cccs3)s1)CCO2.
What is the InChIKey of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is GQYZULPMOBRZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-10-4-5-13-11(9-10)12(6-7-20-13)17-16-19-18-15(22-16)14-3-2-8-21-14/h2-5,8-9,12H,6-7H2,1H3,(H,17,19).
What are the key properties of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine?
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 329.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 108774333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).