(3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C15H21N5O2S — CID 99830526

IUPAC(3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc([C@H]2COCCN2C(=O)NCCc2ccnn2C)n1
InChIInChI=1S/C15H21N5O2S/c1-11-10-23-14(18-11)13-9-22-8-7-20(13)15(21)16-5-3-12-4-6-17-19(12)2/h4,6,10,13H,3,5,7-9H2,1-2H3,(H,16,21)/t13-/m1/s1
InChIKeyCRCRDYXFOKBKCT-CYBMUJFWSA-N
MW335.43 g/mol
LogP1.51
Rot. Bonds4

About (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

(3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 99830526) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID99830526
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc([C@H]2COCCN2C(=O)NCCc2ccnn2C)n1
InChIInChI=1S/C15H21N5O2S/c1-11-10-23-14(18-11)13-9-22-8-7-20(13)15(21)16-5-3-12-4-6-17-19(12)2/h4,6,10,13H,3,5,7-9H2,1-2H3,(H,16,21)/t13-/m1/s1
InChIKeyCRCRDYXFOKBKCT-CYBMUJFWSA-N
XLogP1.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99829886
(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99829842
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 131960819
(3R)-N-[(3R)-1-ethylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99788458
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744621
(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 94052563
(4R)-N-benzoyl-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxamide
CID 68670924
[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone
CID 154779345
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126788583
[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126795570
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 99830526) is (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is Cc1csc([C@H]2COCCN2C(=O)NCCc2ccnn2C)n1.
What is the InChIKey of (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is CRCRDYXFOKBKCT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-10-23-14(18-11)13-9-22-8-7-20(13)15(21)16-5-3-12-4-6-17-19(12)2/h4,6,10,13H,3,5,7-9H2,1-2H3,(H,16,21)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
(3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 99830526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).