4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine

C17H18N4OS2 — CID 44522308

IUPAC4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine
SMILESCc1nc(-c2nc(N3CCOCC3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C17H18N4OS2/c1-11-12(2)24-16(19-11)15-14(13-3-8-23-10-13)9-18-17(20-15)21-4-6-22-7-5-21/h3,8-10H,4-7H2,1-2H3
InChIKeyTWKDZQFMQXBDRB-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.78
Rot. Bonds3

About 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine

4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine (PubChem CID 44522308) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine
PubChem CID44522308
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine
SMILESCc1nc(-c2nc(N3CCOCC3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C17H18N4OS2/c1-11-12(2)24-16(19-11)15-14(13-3-8-23-10-13)9-18-17(20-15)21-4-6-22-7-5-21/h3,8-10H,4-7H2,1-2H3
InChIKeyTWKDZQFMQXBDRB-UHFFFAOYSA-N
XLogP3.78
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine (CID 44522308) is 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine is Cc1nc(-c2nc(N3CCOCC3)ncc2-c2ccsc2)sc1C.
What is the InChIKey of 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine?
The InChIKey is TWKDZQFMQXBDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-11-12(2)24-16(19-11)15-14(13-3-8-23-10-13)9-18-17(20-15)21-4-6-22-7-5-21/h3,8-10H,4-7H2,1-2H3.
What are the key properties of 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine?
4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine has a molecular weight of 358.49 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 44522308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).