1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol

C14H14N4OS2 — CID 133454922

IUPAC1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol
SMILESCC(O)(CNc1nnc(-c2ccccn2)s1)c1ccsc1
InChIInChI=1S/C14H14N4OS2/c1-14(19,10-5-7-20-8-10)9-16-13-18-17-12(21-13)11-4-2-3-6-15-11/h2-8,19H,9H2,1H3,(H,16,18)
InChIKeyCIBPILPRXBKGCZ-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.98
Rot. Bonds5

About 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol

1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol (PubChem CID 133454922) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol
PubChem CID133454922
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol
SMILESCC(O)(CNc1nnc(-c2ccccn2)s1)c1ccsc1
InChIInChI=1S/C14H14N4OS2/c1-14(19,10-5-7-20-8-10)9-16-13-18-17-12(21-13)11-4-2-3-6-15-11/h2-8,19H,9H2,1H3,(H,16,18)
InChIKeyCIBPILPRXBKGCZ-UHFFFAOYSA-N
XLogP2.98
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol with MolForge

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Related Compounds

3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455175
1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 47050439
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 127863865
N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468195
N,N-dimethyl-N'-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479843
N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 86784838
2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133455211
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449467
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065

Frequently Asked Questions

What is the IUPAC name of 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol (CID 133454922) is 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol is CC(O)(CNc1nnc(-c2ccccn2)s1)c1ccsc1.
What is the InChIKey of 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol?
The InChIKey is CIBPILPRXBKGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-14(19,10-5-7-20-8-10)9-16-13-18-17-12(21-13)11-4-2-3-6-15-11/h2-8,19H,9H2,1H3,(H,16,18).
What are the key properties of 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol?
1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol has a molecular weight of 318.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 133454922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).