4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine

C22H26N4OS — CID 135370302

IUPAC4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C22H26N4OS/c1-15-19(18-9-10-23-21(25-18)26-11-13-27-14-12-26)28-20(24-15)16-5-7-17(8-6-16)22(2,3)4/h5-10H,11-14H2,1-4H3
InChIKeyLXDKMQMYOSWIFV-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.71
Rot. Bonds3

About 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine

4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine (PubChem CID 135370302) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine
PubChem CID135370302
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C22H26N4OS/c1-15-19(18-9-10-23-21(25-18)26-11-13-27-14-12-26)28-20(24-15)16-5-7-17(8-6-16)22(2,3)4/h5-10H,11-14H2,1-4H3
InChIKeyLXDKMQMYOSWIFV-UHFFFAOYSA-N
XLogP4.71
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine (CID 135370302) is 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine is Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine?
The InChIKey is LXDKMQMYOSWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-15-19(18-9-10-23-21(25-18)26-11-13-27-14-12-26)28-20(24-15)16-5-7-17(8-6-16)22(2,3)4/h5-10H,11-14H2,1-4H3.
What are the key properties of 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine?
4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine has a molecular weight of 394.54 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 135370302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).