(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C13H17N5O2S — CID 96511624

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nc([C@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n[nH]1
InChIInChI=1S/C13H17N5O2S/c1-7-11(21-9(3)14-7)13(19)18-4-5-20-10(6-18)12-15-8(2)16-17-12/h10H,4-6H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyRVFZZTPIXKGJIW-SNVBAGLBSA-N
MW307.38 g/mol
LogP1.40
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 96511624) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID96511624
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nc([C@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n[nH]1
InChIInChI=1S/C13H17N5O2S/c1-7-11(21-9(3)14-7)13(19)18-4-5-20-10(6-18)12-15-8(2)16-17-12/h10H,4-6H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyRVFZZTPIXKGJIW-SNVBAGLBSA-N
XLogP1.40
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
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(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one
CID 95779711
(2S)-2-amino-3,3-dimethyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one;dihydrochloride
CID 119897734
2-(cyclopropylmethoxy)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 167785665
[2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 126783270
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 127251619
(1,2-dimethylbenzimidazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96511895
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 96511624) is (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is Cc1nc([C@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n[nH]1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is RVFZZTPIXKGJIW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-7-11(21-9(3)14-7)13(19)18-4-5-20-10(6-18)12-15-8(2)16-17-12/h10H,4-6H2,1-3H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 307.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 96511624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).