2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol

C11H13N3OS — CID 105058401

IUPAC2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol
SMILESCC(CO)(Nc1nncs1)c1ccccc1
InChIInChI=1S/C11H13N3OS/c1-11(7-15,9-5-3-2-4-6-9)13-10-14-12-8-16-10/h2-6,8,15H,7H2,1H3,(H,13,14)
InChIKeyABWKHRHJOIPWDP-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.86
Rot. Bonds4

About 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol

2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol (PubChem CID 105058401) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol
PubChem CID105058401
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol
SMILESCC(CO)(Nc1nncs1)c1ccccc1
InChIInChI=1S/C11H13N3OS/c1-11(7-15,9-5-3-2-4-6-9)13-10-14-12-8-16-10/h2-6,8,15H,7H2,1H3,(H,13,14)
InChIKeyABWKHRHJOIPWDP-UHFFFAOYSA-N
XLogP1.86
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-phenylpropan-1-ol
CID 105058433
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol
CID 105058581
2-phenyl-2-(quinolin-4-ylamino)propan-1-ol
CID 105058459
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1194383
2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 106875996
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid
CID 65266431
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 102686736
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058658

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol?
The IUPAC name of 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol (CID 105058401) is 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol?
The canonical SMILES for 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol is CC(CO)(Nc1nncs1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol?
The InChIKey is ABWKHRHJOIPWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-11(7-15,9-5-3-2-4-6-9)13-10-14-12-8-16-10/h2-6,8,15H,7H2,1H3,(H,13,14).
What are the key properties of 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol?
2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol has a molecular weight of 235.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol is sourced from PubChem (CID 105058401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).