(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol

C7H13N3OS — CID 130619298

IUPAC(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
SMILESCC[C@H](O)CNc1nnc(C)s1
InChIInChI=1S/C7H13N3OS/c1-3-6(11)4-8-7-10-9-5(2)12-7/h6,11H,3-4H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyRAAFAXYPJOJUOM-LURJTMIESA-N
MW187.27 g/mol
LogP1.03
Rot. Bonds4

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

(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol (PubChem CID 130619298) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is (2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
PubChem CID130619298
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
SMILESCC[C@H](O)CNc1nnc(C)s1
InChIInChI=1S/C7H13N3OS/c1-3-6(11)4-8-7-10-9-5(2)12-7/h6,11H,3-4H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyRAAFAXYPJOJUOM-LURJTMIESA-N
XLogP1.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 79098164
1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133383205
1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol
CID 115643874
(2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 131154744
N-[2-(2-chloroethyl)pentyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 106117349
3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 64982534
2,2-difluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 104858416
2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine
CID 115306160
1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 133323484
1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
CID 133454114
5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 65209322
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114749612

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
The IUPAC name of (2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol (CID 130619298) is (2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol.
What is the SMILES notation for (2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
The canonical SMILES for (2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol is CC[C@H](O)CNc1nnc(C)s1.
What is the InChIKey of (2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
The InChIKey is RAAFAXYPJOJUOM-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3OS/c1-3-6(11)4-8-7-10-9-5(2)12-7/h6,11H,3-4H2,1-2H3,(H,8,10)/t6-/m0/s1.
What are the key properties of (2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol has a molecular weight of 187.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol is sourced from PubChem (CID 130619298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).