(5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride

C8H9ClN2OS — CID 119106305

IUPAC(5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ncc(-c2cccs2)o1
InChIInChI=1S/C8H8N2OS.ClH/c9-4-8-10-5-6(11-8)7-2-1-3-12-7;/h1-3,5H,4,9H2;1H
InChIKeyURCKBROPRBSFJH-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.28
Rot. Bonds2

About (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride

(5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride (PubChem CID 119106305) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride
PubChem CID119106305
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name(5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ncc(-c2cccs2)o1
InChIInChI=1S/C8H8N2OS.ClH/c9-4-8-10-5-6(11-8)7-2-1-3-12-7;/h1-3,5H,4,9H2;1H
InChIKeyURCKBROPRBSFJH-UHFFFAOYSA-N
XLogP2.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride (CID 119106305) is (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride is Cl.NCc1ncc(-c2cccs2)o1.
What is the InChIKey of (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride?
The InChIKey is URCKBROPRBSFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS.ClH/c9-4-8-10-5-6(11-8)7-2-1-3-12-7;/h1-3,5H,4,9H2;1H.
What are the key properties of (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride?
(5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride has a molecular weight of 216.69 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,3-oxazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 119106305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).