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

C11H14N4OS2 — CID 99830623

IUPAC(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
SMILESCc1csc([C@H]2COCCN2Cc2csnn2)n1
InChIInChI=1S/C11H14N4OS2/c1-8-6-17-11(12-8)10-5-16-3-2-15(10)4-9-7-18-14-13-9/h6-7,10H,2-5H2,1H3/t10-/m1/s1
InChIKeySSAVQWQLOIWEBT-SNVBAGLBSA-N
MW282.39 g/mol
LogP1.88
Rot. Bonds3

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

(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine (PubChem CID 99830623) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
PubChem CID99830623
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
SMILESCc1csc([C@H]2COCCN2Cc2csnn2)n1
InChIInChI=1S/C11H14N4OS2/c1-8-6-17-11(12-8)10-5-16-3-2-15(10)4-9-7-18-14-13-9/h6-7,10H,2-5H2,1H3/t10-/m1/s1
InChIKeySSAVQWQLOIWEBT-SNVBAGLBSA-N
XLogP1.88
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 71694312
(3R)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 99830619
[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 126786163
3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
CID 131661818
(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 99777440
(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine
CID 99827350
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443
(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99829886
(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
CID 97332909
[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone
CID 154779345
N,N,6-trimethyl-2-[(3R)-4-(1,3-thiazol-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124995845
[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126795570

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
The IUPAC name of (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine (CID 99830623) is (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine.
What is the SMILES notation for (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
The canonical SMILES for (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine is Cc1csc([C@H]2COCCN2Cc2csnn2)n1.
What is the InChIKey of (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
The InChIKey is SSAVQWQLOIWEBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-8-6-17-11(12-8)10-5-16-3-2-15(10)4-9-7-18-14-13-9/h6-7,10H,2-5H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine has a molecular weight of 282.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 99830623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).