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

C14H17N3OS — CID 65405691

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CCOc3ccccc32)ns1
InChIInChI=1S/C14H17N3OS/c1-2-8-15-14-16-13(17-19-14)11-7-9-18-12-6-4-3-5-10(11)12/h3-6,11H,2,7-9H2,1H3,(H,15,16,17)
InChIKeyZVHDRWNYKXEWFJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.27
Rot. Bonds4

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

3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65405691) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65405691
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CCOc3ccccc32)ns1
InChIInChI=1S/C14H17N3OS/c1-2-8-15-14-16-13(17-19-14)11-7-9-18-12-6-4-3-5-10(11)12/h3-6,11H,2,7-9H2,1H3,(H,15,16,17)
InChIKeyZVHDRWNYKXEWFJ-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,4-dihydro-2H-chromen-4-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 65404275
N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 65404419
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 65414307
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 65414507
3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65330592
2-[[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81065351
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65405099
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267594
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443
methyl 2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474215

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65405691) is 3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(C2CCOc3ccccc32)ns1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZVHDRWNYKXEWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-8-15-14-16-13(17-19-14)11-7-9-18-12-6-4-3-5-10(11)12/h3-6,11H,2,7-9H2,1H3,(H,15,16,17).
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 275.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65405691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).