[1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol

C11H18N2OS2 — CID 79581805

IUPAC[1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCSc1nccs1
InChIInChI=1S/C11H18N2OS2/c12-11(8-14)4-1-2-9(11)3-6-15-10-13-5-7-16-10/h5,7,9,14H,1-4,6,8,12H2
InChIKeyCSZTUWPCMWYJGL-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.12
Rot. Bonds5

About [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol (PubChem CID 79581805) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol
PubChem CID79581805
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name[1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCSc1nccs1
InChIInChI=1S/C11H18N2OS2/c12-11(8-14)4-1-2-9(11)3-6-15-10-13-5-7-16-10/h5,7,9,14H,1-4,6,8,12H2
InChIKeyCSZTUWPCMWYJGL-UHFFFAOYSA-N
XLogP2.12
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

[1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581722
ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79587926
[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581199
[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
CID 79581557
[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol
CID 79587309
[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 114792963
3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide
CID 63581997
[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581045
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 79582101
1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111466000
[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
CID 79581784

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol (CID 79581805) is [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol is NC1(CO)CCCC1CCSc1nccs1.
What is the InChIKey of [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol?
The InChIKey is CSZTUWPCMWYJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c12-11(8-14)4-1-2-9(11)3-6-15-10-13-5-7-16-10/h5,7,9,14H,1-4,6,8,12H2.
What are the key properties of [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol has a molecular weight of 258.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).