4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide

C12H13N5O2S — CID 127244733

IUPAC4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CN(c2cncnc2)CCO1
InChIInChI=1S/C12H13N5O2S/c18-11(16-12-15-1-4-20-12)10-7-17(2-3-19-10)9-5-13-8-14-6-9/h1,4-6,8,10H,2-3,7H2,(H,15,16,18)
InChIKeyIEXMYFJCHNAEGA-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.78
Rot. Bonds3

About 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide

4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide (PubChem CID 127244733) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
PubChem CID127244733
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CN(c2cncnc2)CCO1
InChIInChI=1S/C12H13N5O2S/c18-11(16-12-15-1-4-20-12)10-7-17(2-3-19-10)9-5-13-8-14-6-9/h1,4-6,8,10H,2-3,7H2,(H,15,16,18)
InChIKeyIEXMYFJCHNAEGA-UHFFFAOYSA-N
XLogP0.78
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
CID 110257959
N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide
CID 110257983
morpholin-4-yl-[(2R)-4-pyrimidin-5-ylmorpholin-2-yl]methanone
CID 95841040
(2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
CID 95826619
(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951
N-methyl-4-pyrazin-2-ylmorpholine-2-carboxamide
CID 110268192
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321
1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 166293217
(2R)-N-(oxan-4-yl)-4-pyrimidin-2-ylmorpholine-2-carboxamide
CID 95813092
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826
N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide
CID 166601055

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide?
The IUPAC name of 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide (CID 127244733) is 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide is O=C(Nc1nccs1)C1CN(c2cncnc2)CCO1.
What is the InChIKey of 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide?
The InChIKey is IEXMYFJCHNAEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c18-11(16-12-15-1-4-20-12)10-7-17(2-3-19-10)9-5-13-8-14-6-9/h1,4-6,8,10H,2-3,7H2,(H,15,16,18).
What are the key properties of 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide?
4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide has a molecular weight of 291.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 127244733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).