(3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine

C12H15N3OS2 — CID 97487327

IUPAC(3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESCc1nc([C@@H]2COCCN2Cc2nccs2)cs1
InChIInChI=1S/C12H15N3OS2/c1-9-14-10(8-18-9)11-7-16-4-3-15(11)6-12-13-2-5-17-12/h2,5,8,11H,3-4,6-7H2,1H3/t11-/m0/s1
InChIKeyFGLJFQYEZXUNFQ-NSHDSACASA-N
MW281.41 g/mol
LogP2.48
Rot. Bonds3

About (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine

(3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine (PubChem CID 97487327) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine
PubChem CID97487327
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name(3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESCc1nc([C@@H]2COCCN2Cc2nccs2)cs1
InChIInChI=1S/C12H15N3OS2/c1-9-14-10(8-18-9)11-7-16-4-3-15(11)6-12-13-2-5-17-12/h2,5,8,11H,3-4,6-7H2,1H3/t11-/m0/s1
InChIKeyFGLJFQYEZXUNFQ-NSHDSACASA-N
XLogP2.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The IUPAC name of (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine (CID 97487327) is (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine.
What is the SMILES notation for (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The canonical SMILES for (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine is Cc1nc([C@@H]2COCCN2Cc2nccs2)cs1.
What is the InChIKey of (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The InChIKey is FGLJFQYEZXUNFQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-9-14-10(8-18-9)11-7-16-4-3-15(11)6-12-13-2-5-17-12/h2,5,8,11H,3-4,6-7H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
(3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine has a molecular weight of 281.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine is sourced from PubChem (CID 97487327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).