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

C9H15N3OS — CID 65272713

IUPAC1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nsc(NCC2(O)CCCC2)n1
InChIInChI=1S/C9H15N3OS/c1-7-11-8(14-12-7)10-6-9(13)4-2-3-5-9/h13H,2-6H2,1H3,(H,10,11,12)
InChIKeyMQHLGIOQYIRXCB-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.56
Rot. Bonds3

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

1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65272713) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65272713
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nsc(NCC2(O)CCCC2)n1
InChIInChI=1S/C9H15N3OS/c1-7-11-8(14-12-7)10-6-9(13)4-2-3-5-9/h13H,2-6H2,1H3,(H,10,11,12)
InChIKeyMQHLGIOQYIRXCB-UHFFFAOYSA-N
XLogP1.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 107305004
CID 107305004
CID 107305005
CID 107305005
CID 107305746
CID 107305746
CID 113943968
CID 113943968
CID 113943973
CID 113943973
CID 65267755
CID 65267755
CID 65272711
CID 65272711
CID 65272712
CID 65272712
CID 65272714
CID 65272714
CID 65272774
CID 65272774

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol (CID 65272713) is 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol is Cc1nsc(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is MQHLGIOQYIRXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-8(14-12-7)10-6-9(13)4-2-3-5-9/h13H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 213.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65272713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).