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

C8H14N3OS+ — CID 7024422

IUPAC4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C[NH+]2CCOCC2)cs1
InChIInChI=1S/C8H13N3OS/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11/h6H,1-5H2,(H2,9,10)/p+1
InChIKeyGSAMTLRIAXVZHZ-UHFFFAOYSA-O
MW200.29 g/mol
LogP-0.86
Rot. Bonds2

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

4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 7024422) has the molecular formula C8H14N3OS+ and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID7024422
Molecular FormulaC8H14N3OS+
Molecular Weight200.29 g/mol
Exact Mass200.09
IUPAC Name4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C[NH+]2CCOCC2)cs1
InChIInChI=1S/C8H13N3OS/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11/h6H,1-5H2,(H2,9,10)/p+1
InChIKeyGSAMTLRIAXVZHZ-UHFFFAOYSA-O
XLogP-0.86
TPSA52.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine (CID 7024422) is 4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine is Nc1nc(C[NH+]2CCOCC2)cs1.
What is the InChIKey of 4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is GSAMTLRIAXVZHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3OS/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11/h6H,1-5H2,(H2,9,10)/p+1.
What are the key properties of 4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine?
4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 200.29 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 7024422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).