4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine

C11H17N3OS — CID 103360446

IUPAC4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine
SMILESCC1COCCN1c1snc(N)c1C1CC1
InChIInChI=1S/C11H17N3OS/c1-7-6-15-5-4-14(7)11-9(8-2-3-8)10(12)13-16-11/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyNXIHNEDCFZXGNM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.83
Rot. Bonds2

About 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine

4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine (PubChem CID 103360446) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine
PubChem CID103360446
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine
SMILESCC1COCCN1c1snc(N)c1C1CC1
InChIInChI=1S/C11H17N3OS/c1-7-6-15-5-4-14(7)11-9(8-2-3-8)10(12)13-16-11/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyNXIHNEDCFZXGNM-UHFFFAOYSA-N
XLogP1.83
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine (CID 103360446) is 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine is CC1COCCN1c1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine?
The InChIKey is NXIHNEDCFZXGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-6-15-5-4-14(7)11-9(8-2-3-8)10(12)13-16-11/h7-8H,2-6H2,1H3,(H2,12,13).
What are the key properties of 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine?
4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine has a molecular weight of 239.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103360446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).