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

C10H13N3O2S — CID 133490778

IUPAC3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESCc1nnc(NC(CCO)c2ccco2)s1
InChIInChI=1S/C10H13N3O2S/c1-7-12-13-10(16-7)11-8(4-5-14)9-3-2-6-15-9/h2-3,6,8,14H,4-5H2,1H3,(H,11,13)
InChIKeyBOKAKHMKXCQXPK-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.98
Rot. Bonds5

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

3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (PubChem CID 133490778) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
PubChem CID133490778
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESCc1nnc(NC(CCO)c2ccco2)s1
InChIInChI=1S/C10H13N3O2S/c1-7-12-13-10(16-7)11-8(4-5-14)9-3-2-6-15-9/h2-3,6,8,14H,4-5H2,1H3,(H,11,13)
InChIKeyBOKAKHMKXCQXPK-UHFFFAOYSA-N
XLogP1.98
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 133491943
3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133493815
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133490799
7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133490844
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol
CID 154737889
3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
CID 133490705
3-(furan-2-yl)-3-[(5-nitropyrimidin-2-yl)amino]propan-1-ol
CID 133490903

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (CID 133490778) is 3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is Cc1nnc(NC(CCO)c2ccco2)s1.
What is the InChIKey of 3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The InChIKey is BOKAKHMKXCQXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-12-13-10(16-7)11-8(4-5-14)9-3-2-6-15-9/h2-3,6,8,14H,4-5H2,1H3,(H,11,13).
What are the key properties of 3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol has a molecular weight of 239.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 133490778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).