4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride

C8H15Cl2N3OS — CID 86594958

IUPAC4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C8H13N3OS.2ClH/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11;;/h6H,1-5H2,(H2,9,10);2*1H
InChIKeyYSPJBSQZYZBTIC-UHFFFAOYSA-N
MW272.20 g/mol
LogP1.40
Rot. Bonds2

About 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride

4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 86594958) has the molecular formula C8H15Cl2N3OS and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
PubChem CID86594958
Molecular FormulaC8H15Cl2N3OS
Molecular Weight272.20 g/mol
Exact Mass271.03
IUPAC Name4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C8H13N3OS.2ClH/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11;;/h6H,1-5H2,(H2,9,10);2*1H
InChIKeyYSPJBSQZYZBTIC-UHFFFAOYSA-N
XLogP1.40
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride (CID 86594958) is 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is YSPJBSQZYZBTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS.2ClH/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11;;/h6H,1-5H2,(H2,9,10);2*1H.
What are the key properties of 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride?
4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 272.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 86594958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).