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

C17H26N4OS — CID 97151843

IUPAC(2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc([C@@]2(C)CN(Cc3cnc(C(C)(C)C)s3)CCO2)cn1
InChIInChI=1S/C17H26N4OS/c1-16(2,3)15-18-9-14(23-15)11-21-6-7-22-17(4,12-21)13-8-19-20(5)10-13/h8-10H,6-7,11-12H2,1-5H3/t17-/m1/s1
InChIKeyPNOHURGALLSALL-QGZVFWFLSA-N
MW334.49 g/mol
LogP2.92
Rot. Bonds3

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

(2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 97151843) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is (2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID97151843
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name(2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc([C@@]2(C)CN(Cc3cnc(C(C)(C)C)s3)CCO2)cn1
InChIInChI=1S/C17H26N4OS/c1-16(2,3)15-18-9-14(23-15)11-21-6-7-22-17(4,12-21)13-8-19-20(5)10-13/h8-10H,6-7,11-12H2,1-5H3/t17-/m1/s1
InChIKeyPNOHURGALLSALL-QGZVFWFLSA-N
XLogP2.92
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 97151843) is (2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc([C@@]2(C)CN(Cc3cnc(C(C)(C)C)s3)CCO2)cn1.
What is the InChIKey of (2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is PNOHURGALLSALL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-16(2,3)15-18-9-14(23-15)11-21-6-7-22-17(4,12-21)13-8-19-20(5)10-13/h8-10H,6-7,11-12H2,1-5H3/t17-/m1/s1.
What are the key properties of (2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
(2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 334.49 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 97151843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).