N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C8H11N3OS — CID 107648494

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESC1=COC(CNc2nncs2)CC1
InChIInChI=1S/C8H11N3OS/c1-2-4-12-7(3-1)5-9-8-11-10-6-13-8/h2,4,6-7H,1,3,5H2,(H,9,11)
InChIKeyAQSNVQMJJJVADW-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.64
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648494) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID107648494
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESC1=COC(CNc2nncs2)CC1
InChIInChI=1S/C8H11N3OS/c1-2-4-12-7(3-1)5-9-8-11-10-6-13-8/h2,4,6-7H,1,3,5H2,(H,9,11)
InChIKeyAQSNVQMJJJVADW-UHFFFAOYSA-N
XLogP1.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 62066529
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720114
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline
CID 62064732
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
CID 62064376
2-amino-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropanamide
CID 130964270
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 62066733
4-bromo-3-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)aniline
CID 107619335
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine
CID 105022122
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethynylaniline
CID 62065052
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CID 62066694

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 107648494) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine is C1=COC(CNc2nncs2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AQSNVQMJJJVADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-2-4-12-7(3-1)5-9-8-11-10-6-13-8/h2,4,6-7H,1,3,5H2,(H,9,11).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 197.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).