2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol

C11H13N3OS — CID 64982613

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
SMILESCc1nnc(NC(CO)c2ccccc2)s1
InChIInChI=1S/C11H13N3OS/c1-8-13-14-11(16-8)12-10(7-15)9-5-3-2-4-6-9/h2-6,10,15H,7H2,1H3,(H,12,14)
InChIKeyJJFVHIIWNWRCOR-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.99
Rot. Bonds4

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol (PubChem CID 64982613) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
PubChem CID64982613
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
SMILESCc1nnc(NC(CO)c2ccccc2)s1
InChIInChI=1S/C11H13N3OS/c1-8-13-14-11(16-8)12-10(7-15)9-5-3-2-4-6-9/h2-6,10,15H,7H2,1H3,(H,12,14)
InChIKeyJJFVHIIWNWRCOR-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-phenylmethyl]phenol
CID 107648394
2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 115644021
ethyl (3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoate
CID 94782815
2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274322
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133371204
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 129358685
2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol
CID 102770772
N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648399
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 133435889

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol (CID 64982613) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol is Cc1nnc(NC(CO)c2ccccc2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol?
The InChIKey is JJFVHIIWNWRCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-13-14-11(16-8)12-10(7-15)9-5-3-2-4-6-9/h2-6,10,15H,7H2,1H3,(H,12,14).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol has a molecular weight of 235.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol is sourced from PubChem (CID 64982613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).