(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

C14H20N4OS — CID 95283767

IUPAC(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CN(Cc3cnc(C)s3)CCO2)c1
InChIInChI=1S/C14H20N4OS/c1-11-5-16-18(7-11)9-13-8-17(3-4-19-13)10-14-6-15-12(2)20-14/h5-7,13H,3-4,8-10H2,1-2H3/t13-/m0/s1
InChIKeyWOHLZCYKQMROSD-ZDUSSCGKSA-N
MW292.41 g/mol
LogP1.86
Rot. Bonds4

About (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 95283767) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID95283767
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CN(Cc3cnc(C)s3)CCO2)c1
InChIInChI=1S/C14H20N4OS/c1-11-5-16-18(7-11)9-13-8-17(3-4-19-13)10-14-6-15-12(2)20-14/h5-7,13H,3-4,8-10H2,1-2H3/t13-/m0/s1
InChIKeyWOHLZCYKQMROSD-ZDUSSCGKSA-N
XLogP1.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (CID 95283767) is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is Cc1cnn(C[C@@H]2CN(Cc3cnc(C)s3)CCO2)c1.
What is the InChIKey of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is WOHLZCYKQMROSD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-11-5-16-18(7-11)9-13-8-17(3-4-19-13)10-14-6-15-12(2)20-14/h5-7,13H,3-4,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 292.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 95283767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).