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

C9H15N3OS — CID 65270983

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-7(5-13)10-9-11-8(12-14-9)6-3-4-6/h6-7,13H,2-5H2,1H3,(H,10,11,12)
InChIKeyUMMRDNMSXDXESG-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.60
Rot. Bonds5

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (PubChem CID 65270983) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
PubChem CID65270983
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-7(5-13)10-9-11-8(12-14-9)6-3-4-6/h6-7,13H,2-5H2,1H3,(H,10,11,12)
InChIKeyUMMRDNMSXDXESG-UHFFFAOYSA-N
XLogP1.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 124738378
4-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]but-2-yn-1-ol
CID 132300947
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736425
1,1,1-Trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103736428
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894633
1,1-Difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894635
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104858587
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 107304709
3-Methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 107305037
2-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 107305155
4-Methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-1-ol
CID 113943935
3,3-Dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 121538079

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (CID 65270983) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is CCC(CO)Nc1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The InChIKey is UMMRDNMSXDXESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-7(5-13)10-9-11-8(12-14-9)6-3-4-6/h6-7,13H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol has a molecular weight of 213.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 65270983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).