[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol

C15H19N3O2S — CID 122560367

IUPAC[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2nnc(-c3ccccc3)s2)CCOCC1
InChIInChI=1S/C15H19N3O2S/c19-11-15(6-8-20-9-7-15)10-16-14-18-17-13(21-14)12-4-2-1-3-5-12/h1-5,19H,6-11H2,(H,16,18)
InChIKeyUNCYTPFNHJBSCF-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.41
Rot. Bonds5

About [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol

[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol (PubChem CID 122560367) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol
PubChem CID122560367
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2nnc(-c3ccccc3)s2)CCOCC1
InChIInChI=1S/C15H19N3O2S/c19-11-15(6-8-20-9-7-15)10-16-14-18-17-13(21-14)12-4-2-1-3-5-12/h1-5,19H,6-11H2,(H,16,18)
InChIKeyUNCYTPFNHJBSCF-UHFFFAOYSA-N
XLogP2.41
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110310238
[1-[[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropyl]methanol
CID 133494058
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 31535225
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133405929
[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 130662949
[4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol
CID 122565094
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
[4-[(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-ylamino)methyl]oxan-4-yl]methanol
CID 122154696
[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
CID 122562011
N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133399967
(1S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 125446287
N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine
CID 123741269

Frequently Asked Questions

What is the IUPAC name of [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol (CID 122560367) is [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol is OCC1(CNc2nnc(-c3ccccc3)s2)CCOCC1.
What is the InChIKey of [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is UNCYTPFNHJBSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-11-15(6-8-20-9-7-15)10-16-14-18-17-13(21-14)12-4-2-1-3-5-12/h1-5,19H,6-11H2,(H,16,18).
What are the key properties of [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol?
[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 305.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 122560367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).