1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone

C15H14F3N3O2S2 — CID 1152392

IUPAC1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
SMILESO=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C15H14F3N3O2S2/c16-15(17,18)12-8-10(11-2-1-7-24-11)19-14(20-12)25-9-13(22)21-3-5-23-6-4-21/h1-2,7-8H,3-6,9H2
InChIKeyHXBRYZLKPASKQP-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.17
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone

1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone (PubChem CID 1152392) has the molecular formula C15H14F3N3O2S2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
PubChem CID1152392
Molecular FormulaC15H14F3N3O2S2
Molecular Weight389.42 g/mol
Exact Mass389.05
IUPAC Name1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
SMILESO=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C15H14F3N3O2S2/c16-15(17,18)12-8-10(11-2-1-7-24-11)19-14(20-12)25-9-13(22)21-3-5-23-6-4-21/h1-2,7-8H,3-6,9H2
InChIKeyHXBRYZLKPASKQP-UHFFFAOYSA-N
XLogP3.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-Thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]morpholine
CID 756560
N-Benzyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 993268
1-Morpholin-4-yl-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-ethanone
CID 1140843
2-(4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1140873
N-Isobutyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 1152385
Ethyl 4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazinecarboxylate
CID 2990464
1-Morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
CID 3145570
N-sec-Butyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 3145753
2-((4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetic acid
CID 777466
1-[2-[4-Thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one
CID 134201982
N-[4-(diethylamino)phenyl]-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1152414
2-(4-Methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 2985000

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone (CID 1152392) is 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone is O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone?
The InChIKey is HXBRYZLKPASKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S2/c16-15(17,18)12-8-10(11-2-1-7-24-11)19-14(20-12)25-9-13(22)21-3-5-23-6-4-21/h1-2,7-8H,3-6,9H2.
What are the key properties of 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone?
1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone has a molecular weight of 389.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone is sourced from PubChem (CID 1152392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).