3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine

C16H19N3OS — CID 133363274

IUPAC3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCC1(C)CC(Nc2nc(C3CC3)ns2)c2ccccc2O1
InChIInChI=1S/C16H19N3OS/c1-16(2)9-12(11-5-3-4-6-13(11)20-16)17-15-18-14(19-21-15)10-7-8-10/h3-6,10,12H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyOMHYSFYVXCLFHN-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.13
Rot. Bonds3

About 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 133363274) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID133363274
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCC1(C)CC(Nc2nc(C3CC3)ns2)c2ccccc2O1
InChIInChI=1S/C16H19N3OS/c1-16(2)9-12(11-5-3-4-6-13(11)20-16)17-15-18-14(19-21-15)10-7-8-10/h3-6,10,12H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyOMHYSFYVXCLFHN-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine (CID 133363274) is 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine is CC1(C)CC(Nc2nc(C3CC3)ns2)c2ccccc2O1.
What is the InChIKey of 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OMHYSFYVXCLFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2)9-12(11-5-3-4-6-13(11)20-16)17-15-18-14(19-21-15)10-7-8-10/h3-6,10,12H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 301.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133363274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).