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

C10H16ClN3OS — CID 114948799

IUPAC1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1nnc(Cl)s1)CC1(O)CCCC1
InChIInChI=1S/C10H16ClN3OS/c1-14(6-8-12-13-9(11)16-8)7-10(15)4-2-3-5-10/h15H,2-7H2,1H3
InChIKeyVSBSJIXICNGPOE-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.93
Rot. Bonds4

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

1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948799) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948799
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1nnc(Cl)s1)CC1(O)CCCC1
InChIInChI=1S/C10H16ClN3OS/c1-14(6-8-12-13-9(11)16-8)7-10(15)4-2-3-5-10/h15H,2-7H2,1H3
InChIKeyVSBSJIXICNGPOE-UHFFFAOYSA-N
XLogP1.93
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol
CID 114953269
1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948795
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
CID 80610850
N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80609197
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide
CID 80611853
1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953196
1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114952614
1-[[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 115758441
methyl 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]butanoate
CID 80606553
1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321838

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 114948799) is 1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol is CN(Cc1nnc(Cl)s1)CC1(O)CCCC1.
What is the InChIKey of 1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is VSBSJIXICNGPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-14(6-8-12-13-9(11)16-8)7-10(15)4-2-3-5-10/h15H,2-7H2,1H3.
What are the key properties of 1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 261.78 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).