3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride

C12H13ClN2OS — CID 66714329

IUPAC3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride
SMILESCl.NC1CC1c1cnc(-c2cccc(O)c2)s1
InChIInChI=1S/C12H12N2OS.ClH/c13-10-5-9(10)11-6-14-12(16-11)7-2-1-3-8(15)4-7;/h1-4,6,9-10,15H,5,13H2;1H
InChIKeyGOQAKGVZTLVLAX-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.75
Rot. Bonds2

About 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride

3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride (PubChem CID 66714329) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride
PubChem CID66714329
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride
SMILESCl.NC1CC1c1cnc(-c2cccc(O)c2)s1
InChIInChI=1S/C12H12N2OS.ClH/c13-10-5-9(10)11-6-14-12(16-11)7-2-1-3-8(15)4-7;/h1-4,6,9-10,15H,5,13H2;1H
InChIKeyGOQAKGVZTLVLAX-UHFFFAOYSA-N
XLogP2.75
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride?
The IUPAC name of 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride (CID 66714329) is 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride.
What is the SMILES notation for 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride?
The canonical SMILES for 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride is Cl.NC1CC1c1cnc(-c2cccc(O)c2)s1.
What is the InChIKey of 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride?
The InChIKey is GOQAKGVZTLVLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS.ClH/c13-10-5-9(10)11-6-14-12(16-11)7-2-1-3-8(15)4-7;/h1-4,6,9-10,15H,5,13H2;1H.
What are the key properties of 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride?
3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride has a molecular weight of 268.77 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride is sourced from PubChem (CID 66714329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).