3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine

C13H17N3OS2 — CID 131661818

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
SMILESCc1csc(CN2CCOCC2c2csc(C)n2)n1
InChIInChI=1S/C13H17N3OS2/c1-9-7-19-13(14-9)5-16-3-4-17-6-12(16)11-8-18-10(2)15-11/h7-8,12H,3-6H2,1-2H3
InChIKeyBWRSWMBZPDHVBO-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.79
Rot. Bonds3

About 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine

3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine (PubChem CID 131661818) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
PubChem CID131661818
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
SMILESCc1csc(CN2CCOCC2c2csc(C)n2)n1
InChIInChI=1S/C13H17N3OS2/c1-9-7-19-13(14-9)5-16-3-4-17-6-12(16)11-8-18-10(2)15-11/h7-8,12H,3-6H2,1-2H3
InChIKeyBWRSWMBZPDHVBO-UHFFFAOYSA-N
XLogP2.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 97487327
4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 131646432
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 97485599
4-[(6-methyl-2-pyridinyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155844122
3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine
CID 131642420
3-[3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-yl]-4-methylmorpholine
CID 138039335
(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 99830623
1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 131657943
N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124980115
3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136543239
2-(4-methylphenoxy)-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131654980
1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 97485469

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine (CID 131661818) is 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine is Cc1csc(CN2CCOCC2c2csc(C)n2)n1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
The InChIKey is BWRSWMBZPDHVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-9-7-19-13(14-9)5-16-3-4-17-6-12(16)11-8-18-10(2)15-11/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine has a molecular weight of 295.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 131661818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).