[1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol

C9H15N3OS — CID 130592727

IUPAC[1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol
SMILESNCC1(C(O)c2csnn2)CCCC1
InChIInChI=1S/C9H15N3OS/c10-6-9(3-1-2-4-9)8(13)7-5-14-12-11-7/h5,8,13H,1-4,6,10H2
InChIKeyFDJDIQCQZYZPPK-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.09
Rot. Bonds3

About [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol

[1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol (PubChem CID 130592727) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol
PubChem CID130592727
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol
SMILESNCC1(C(O)c2csnn2)CCCC1
InChIInChI=1S/C9H15N3OS/c10-6-9(3-1-2-4-9)8(13)7-5-14-12-11-7/h5,8,13H,1-4,6,10H2
InChIKeyFDJDIQCQZYZPPK-UHFFFAOYSA-N
XLogP1.09
TPSA72.03 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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol (CID 130592727) is [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol is NCC1(C(O)c2csnn2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol?
The InChIKey is FDJDIQCQZYZPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-6-9(3-1-2-4-9)8(13)7-5-14-12-11-7/h5,8,13H,1-4,6,10H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol?
[1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol has a molecular weight of 213.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 130592727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).